4962569
  -OEChem-06192423182D

 35 36  0     1  0  0  0  0  0999 V2000
    2.0000    0.9170    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -2.0308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -2.8398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -2.8398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    0.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646   -0.4919    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9836    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1646   -0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9617    1.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4736   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0662    2.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    2.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5522   -0.5889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    0.7488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892   -1.1908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5456   -1.9799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7711   -0.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    0.1247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0265    0.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5817    1.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0687    2.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.7322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836   -1.9799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400   -1.1908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6727    2.3042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2578    3.0227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627    3.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511    3.2042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518    1.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236    1.6176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4962569

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
384

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMABEAAAAAAAAAAAAAAAAAaIAAAAAAAAAAAAAAAAAAAAAHgYAAAAACCvFwESAAAMAAAoIAAEQEHBAAAAAABAAAAAIAABAAAIggABEAAAABgCgAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-cyclopentyl-N-(1,1-dioxo-3-thiolanyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-cyclopentyl-<I>N</I>-(1,1-dioxothiolan-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-N-cyclopentyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-cyclopentyl-N-(1,1-diketothiolan-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H18ClNO3S/c12-7-11(14)13(9-3-1-2-4-9)10-5-6-17(15,16)8-10/h9-10H,1-8H2

> <PUBCHEM_IUPAC_INCHIKEY>
DEIQINIBCQYWIW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
279.0695923

> <PUBCHEM_MOLECULAR_FORMULA>
C11H18ClNO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
279.78

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
62.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.0695923

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  6  3

$$$$
