
 CHEMBL292103

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.8492    1.1102    1.4419 C   0  0  0  0  0
    3.9112    0.7859    2.4756 C   0  0  0  0  0
    5.2631    2.0060    2.5200 S   0  0  0  0  0
    5.9422    1.8925    0.8011 C   0  0  0  0  0
    7.1155    2.8878    0.6891 C   0  0  0  0  0
    8.4469    2.2872    1.1641 C   0  0  0  0  0
    8.6564    0.8257    0.7182 C   0  0  0  0  0
    8.5339    0.5581   -0.7831 C   0  0  0  0  0
    7.0200    0.4415   -1.0154 C   0  0  0  0  0
    6.4046    0.4653    0.3947 C   0  0  0  0  0
    7.5303    0.0295    1.2477 N   0  0  0  0  0
    9.2462    1.5686   -1.6525 C   0  0  0  0  0
    8.7318    2.1930   -2.5708 O   0  0  0  0  0
   10.5635    1.6274   -1.3105 O   0  0  0  0  0
   11.3412    2.5129   -2.1185 C   0  0  0  0  0
    1.9935    0.4376    1.5669 H   0  0  0  0  0
    3.2189    0.9740    0.4214 H   0  0  0  0  0
    2.4805    2.1363    1.5477 H   0  0  0  0  0
    4.3145   -0.2192    2.3242 H   0  0  0  0  0
    3.4505    0.7912    3.4692 H   0  0  0  0  0
    5.1497    2.2331    0.1260 H   0  0  0  0  0
    6.9129    3.8281    1.2175 H   0  0  0  0  0
    7.2241    3.1753   -0.3644 H   0  0  0  0  0
    9.2716    2.9166    0.8101 H   0  0  0  0  0
    8.4830    2.3303    2.2606 H   0  0  0  0  0
    9.6080    0.4563    1.1150 H   0  0  0  0  0
    8.9776   -0.4195   -1.0219 H   0  0  0  0  0
    6.6043    1.2198   -1.6631 H   0  0  0  0  0
    6.8096   -0.5227   -1.4953 H   0  0  0  0  0
    5.5728   -0.2428    0.4494 H   0  0  0  0  0
    7.7110   -0.9633    1.0895 H   0  0  0  0  0
   12.3627    2.5181   -1.7284 H   0  0  0  0  0
   10.9449    3.5318   -2.0660 H   0  0  0  0  0
   11.3669    2.1576   -3.1531 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL292103

>  <PubChem CID>
44304829

>  <Formula>
C11H19NO2S

>  <Molecular Weight>
229.338000

>  <IUPAC Name>
methyl 4-ethylsulfanyl-8-azabicyclo[3.2.1]octane-7-carboxylate

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCSC1CCC2C(CC1N2)C(=O)OC

>  <Isomeric SMILES>
CCSC1CCC2C(CC1N2)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C11H19NO2S/c1-3-15-10-5-4-8-7(11(13)14-2)6-9(10)12-8/h7-10,12H,3-6H2,1-2H3

>  <InChI Key>
AHPPWALLNNTVTD-UHFFFAOYSA-N

