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

C16H18N2S — CID 44569475

IUPAC(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@H](c1cccs1)c1cccc2[nH]ccc12
InChIInChI=1S/C16H18N2S/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/t14-/m0/s1
InChIKeyYQKYZMKIRHBJGF-AWEZNQCLSA-N
MW270.40 g/mol
LogP3.97
Rot. Bonds5

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

(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 44569475) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID44569475
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@H](c1cccs1)c1cccc2[nH]ccc12
InChIInChI=1S/C16H18N2S/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/t14-/m0/s1
InChIKeyYQKYZMKIRHBJGF-AWEZNQCLSA-N
XLogP3.97
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 44569440
N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 69260983
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
4-butan-2-yl-1H-indole;ethane
CID 143835108
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
4-octan-2-yl-1H-indole
CID 130223302
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 44569475) is (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12.
What is the InChIKey of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YQKYZMKIRHBJGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2S/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/t14-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 3.97, 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 is sourced from PubChem (CID 44569475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).