(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride

C16H19ClN2S — CID 44569474

IUPAC(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC[C@H](c1cccs1)c1cccc2[nH]ccc12.Cl
InChIInChI=1S/C16H18N2S.ClH/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15;/h2-6,8,10-11,14,17-18H,7,9H2,1H3;1H/t14-;/m0./s1
InChIKeyMASIZGXZLCEQNH-UQKRIMTDSA-N
MW306.86 g/mol
LogP4.39
Rot. Bonds5

About (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride

(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 44569474) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID44569474
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC[C@H](c1cccs1)c1cccc2[nH]ccc12.Cl
InChIInChI=1S/C16H18N2S.ClH/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15;/h2-6,8,10-11,14,17-18H,7,9H2,1H3;1H/t14-;/m0./s1
InChIKeyMASIZGXZLCEQNH-UQKRIMTDSA-N
XLogP4.39
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride (CID 44569474) is (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride is CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12.Cl.
What is the InChIKey of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is MASIZGXZLCEQNH-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H18N2S.ClH/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15;/h2-6,8,10-11,14,17-18H,7,9H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride?
(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 44569474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).