
 NCGC00015135-01

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.6889   -0.7708    1.5337 C   0  0  0  0  0
    3.6064   -0.2991    0.4055 C   0  0  0  0  0
    3.0322   -0.6168   -0.9925 C   0  0  0  0  0
    2.8466   -2.0802   -1.2637 C   0  0  0  0  0
    3.8368   -3.0439   -1.2796 C   0  0  0  0  0
    3.2601   -4.2515   -1.5641 N   0  0  0  0  0
    1.9091   -4.0983   -1.7640 C   0  0  0  0  0
    1.6182   -2.7460   -1.5860 C   0  0  0  0  0
    0.2820   -2.3168   -1.7533 C   0  0  0  0  0
   -0.7002   -3.2402   -2.1313 C   0  0  0  0  0
   -0.3751   -4.5890   -2.2691 C   0  0  0  0  0
    0.9335   -5.0466   -2.0882 C   0  0  0  0  0
   -2.0112   -2.9364   -2.3889 O   0  0  0  0  0
   -2.2931   -1.5678   -2.6959 C   0  0  0  0  0
   -3.5752   -1.5373   -3.4774 C   0  0  0  0  0
   -4.6869   -2.3536   -3.3724 C   0  0  0  0  0
   -5.7035   -2.0120   -4.3098 C   0  0  0  0  0
   -5.3436   -0.9380   -5.0919 C   0  0  0  0  0
   -3.7941   -0.3429   -4.6905 S   0  0  0  0  0
    3.8241    1.1470    0.5618 N   0  0  0  0  0
    3.0971   -0.4909    2.5121 H   0  0  0  0  0
    2.5843   -1.8613    1.5303 H   0  0  0  0  0
    1.6866   -0.3344    1.4483 H   0  0  0  0  0
    4.5775   -0.7936    0.5219 H   0  0  0  0  0
    3.7077   -0.2168   -1.7616 H   0  0  0  0  0
    2.0792   -0.0888   -1.1238 H   0  0  0  0  0
    4.9027   -2.9727   -1.1069 H   0  0  0  0  0
    3.7526   -5.1307   -1.6345 H   0  0  0  0  0
    0.0494   -1.2708   -1.5964 H   0  0  0  0  0
   -1.1520   -5.2996   -2.5432 H   0  0  0  0  0
    1.1784   -6.0968   -2.2151 H   0  0  0  0  0
   -1.4896   -1.1240   -3.2979 H   0  0  0  0  0
   -2.4164   -1.0050   -1.7632 H   0  0  0  0  0
   -4.7560   -3.1702   -2.6625 H   0  0  0  0  0
   -6.6487   -2.5309   -4.4076 H   0  0  0  0  0
   -5.9174   -0.4713   -5.8813 H   0  0  0  0  0
    2.9356    1.6404    0.4859 H   0  0  0  0  0
    4.4074    1.4904   -0.1999 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
NCGC00015135-01

>  <PubChem CID>
6603733

>  <Formula>
C16H18N2OS

>  <Molecular Weight>
286.393000

>  <IUPAC Name>
(2S)-1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N

>  <Isomeric SMILES>
C[C@@H](CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N

>  <InChI Std. ID>
InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3/t11-/m0/s1

>  <InChI Key>
ALFGDCNSEBJYSP-NSHDSACASA-N

