(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane

C102H120N12O6S12 — CID 165068533

IUPAC(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane
SMILESCNCC[C@H](Oc1ccc2ncccc2c1)c1cccs1.CNCC[C@H](Oc1cccc2cccnc12)c1cccs1.CNCC[C@H](Oc1cccc2ccncc12)c1cccs1.CNCC[C@H](Oc1cccc2ncccc12)c1cccs1.CNCC[C@H](Oc1ccnc2ccccc12)c1cccs1.CNCC[C@H](Oc1cncc2ccccc12)c1cccs1.S.S.S.S.S.S
InChIInChI=1S/6C17H18N2OS.6H2S/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14;1-18-11-9-14(16-8-4-12-21-16)20-15-7-2-5-13-6-3-10-19-17(13)15;1-18-10-8-16(17-5-3-11-21-17)20-14-6-7-15-13(12-14)4-2-9-19-15;1-18-9-8-16(17-6-3-11-21-17)20-15-5-2-4-13-7-10-19-12-14(13)15;1-18-10-8-16(17-7-4-12-21-17)20-15-9-11-19-14-6-3-2-5-13(14)15;1-18-9-8-15(17-7-4-10-21-17)20-16-12-19-11-13-5-2-3-6-14(13)16;;;;;;/h2-8,10,12,16,18H,9,11H2,1H3;2-8,10,12,14,18H,9,11H2,1H3;2-7,9,11-12,16,18H,8,10H2,1H3;2-7,10-12,16,18H,8-9H2,1H3;2-7,9,11-12,16,18H,8,10H2,1H3;2-7,10-12,15,18H,8-9H2,1H3;6*1H2/t16-;14-;3*16-;15-;;;;;;/m000000....../s1
InChIKeySJEMGKFXAAZPIE-QLEVBMACSA-N
MW1994.96 g/mol
LogP24.83
Rot. Bonds36

About (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane

(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane (PubChem CID 165068533) has the molecular formula C102H120N12O6S12 and a molecular weight of 1994.96 g/mol. Its IUPAC name is (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane.

Molecular Properties

Compound Name(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane
PubChem CID165068533
Molecular FormulaC102H120N12O6S12
Molecular Weight1994.96 g/mol
Exact Mass1992.61
IUPAC Name(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane
SMILESCNCC[C@H](Oc1ccc2ncccc2c1)c1cccs1.CNCC[C@H](Oc1cccc2cccnc12)c1cccs1.CNCC[C@H](Oc1cccc2ccncc12)c1cccs1.CNCC[C@H](Oc1cccc2ncccc12)c1cccs1.CNCC[C@H](Oc1ccnc2ccccc12)c1cccs1.CNCC[C@H](Oc1cncc2ccccc12)c1cccs1.S.S.S.S.S.S
InChIInChI=1S/6C17H18N2OS.6H2S/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14;1-18-11-9-14(16-8-4-12-21-16)20-15-7-2-5-13-6-3-10-19-17(13)15;1-18-10-8-16(17-5-3-11-21-17)20-14-6-7-15-13(12-14)4-2-9-19-15;1-18-9-8-16(17-6-3-11-21-17)20-15-5-2-4-13-7-10-19-12-14(13)15;1-18-10-8-16(17-7-4-12-21-17)20-15-9-11-19-14-6-3-2-5-13(14)15;1-18-9-8-15(17-7-4-10-21-17)20-16-12-19-11-13-5-2-3-6-14(13)16;;;;;;/h2-8,10,12,16,18H,9,11H2,1H3;2-8,10,12,14,18H,9,11H2,1H3;2-7,9,11-12,16,18H,8,10H2,1H3;2-7,10-12,16,18H,8-9H2,1H3;2-7,9,11-12,16,18H,8,10H2,1H3;2-7,10-12,15,18H,8-9H2,1H3;6*1H2/t16-;14-;3*16-;15-;;;;;;/m000000....../s1
InChIKeySJEMGKFXAAZPIE-QLEVBMACSA-N
XLogP24.83
TPSA204.90 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001994.96
LogP ≤ 524.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane with MolForge

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Launch Full Analysis

Related Compounds

cumene;1-propan-2-ylcyclohexene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;6-propan-2-yl-3,4-dihydro-2H-chromene;4-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;7-propan-2-yl-2,3,4,5-tetrahydro-1,5-benzoxazepine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158006595
7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine
CID 160503082
(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 163962126

Frequently Asked Questions

What is the IUPAC name of (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane?
The IUPAC name of (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane (CID 165068533) is (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane.
What is the SMILES notation for (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane?
The canonical SMILES for (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane is CNCC[C@H](Oc1ccc2ncccc2c1)c1cccs1.CNCC[C@H](Oc1cccc2cccnc12)c1cccs1.CNCC[C@H](Oc1cccc2ccncc12)c1cccs1.CNCC[C@H](Oc1cccc2ncccc12)c1cccs1.CNCC[C@H](Oc1ccnc2ccccc12)c1cccs1.CNCC[C@H](Oc1cncc2ccccc12)c1cccs1.S.S.S.S.S.S.
What is the InChIKey of (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane?
The InChIKey is SJEMGKFXAAZPIE-QLEVBMACSA-N. The full InChI is InChI=1S/6C17H18N2OS.6H2S/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14;1-18-11-9-14(16-8-4-12-21-16)20-15-7-2-5-13-6-3-10-19-17(13)15;1-18-10-8-16(17-5-3-11-21-17)20-14-6-7-15-13(12-14)4-2-9-19-15;1-18-9-8-16(17-6-3-11-21-17)20-15-5-2-4-13-7-10-19-12-14(13)15;1-18-10-8-16(17-7-4-12-21-17)20-15-9-11-19-14-6-3-2-5-13(14)15;1-18-9-8-15(17-7-4-10-21-17)20-16-12-19-11-13-5-2-3-6-14(13)16;;;;;;/h2-8,10,12,16,18H,9,11H2,1H3;2-8,10,12,14,18H,9,11H2,1H3;2-7,9,11-12,16,18H,8,10H2,1H3;2-7,10-12,16,18H,8-9H2,1H3;2-7,9,11-12,16,18H,8,10H2,1H3;2-7,10-12,15,18H,8-9H2,1H3;6*1H2/t16-;14-;3*16-;15-;;;;;;/m000000....../s1.
What are the key properties of (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane?
(3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane has a molecular weight of 1994.96 g/mol, XLogP of 24.83, 36 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-isoquinolin-4-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-3-isoquinolin-8-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-4-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-6-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-quinolin-8-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane is sourced from PubChem (CID 165068533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).