132327093
  -OEChem-06192423312D

 32 33  0     1  0  0  0  0  0999 V2000
    8.0388    0.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.8660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0878    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0878    0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0388    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923   -0.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826   -0.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3400    2.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5508    1.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5508   -0.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3400   -0.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6554    1.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1678    1.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077    2.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    1.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  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 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132327093

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
269

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMABAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAHgQQAAAADGzlwAaAAALABAiIACFSEACAAAAAABAIAIAIAEAAAAIggAAGAAAGFgCgAIGQwDAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(6-oxa-2-thiaspiro[4.5]decan-9-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H17NO2S/c1-2-10(13)12-9-3-5-14-11(7-9)4-6-15-8-11/h2,9H,1,3-8H2,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
UVHXVCABHRFZLG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
227.09799996

> <PUBCHEM_MOLECULAR_FORMULA>
C11H17NO2S

> <PUBCHEM_MOLECULAR_WEIGHT>
227.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1CCOC2(C1)CCSC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1CCOC2(C1)CCSC2

> <PUBCHEM_CACTVS_TPSA>
63.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.09799996

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  4  3
5  8  3

$$$$
