N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine

C17H24N2S — CID 114910004

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(NCC(C)N1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-13(19-9-5-6-10-19)12-18-14(2)17-11-15-7-3-4-8-16(15)20-17/h3-4,7-8,11,13-14,18H,5-6,9-10,12H2,1-2H3
InChIKeyGJRDQLXPJCOBSD-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 114910004) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID114910004
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(NCC(C)N1CCCC1)c1cc2ccccc2s1
InChIInChI=1S/C17H24N2S/c1-13(19-9-5-6-10-19)12-18-14(2)17-11-15-7-3-4-8-16(15)20-17/h3-4,7-8,11,13-14,18H,5-6,9-10,12H2,1-2H3
InChIKeyGJRDQLXPJCOBSD-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 114909627
N-[1-(1-benzothiophen-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 102613455
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 54767576
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 114910004) is N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine is CC(NCC(C)N1CCCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GJRDQLXPJCOBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(19-9-5-6-10-19)12-18-14(2)17-11-15-7-3-4-8-16(15)20-17/h3-4,7-8,11,13-14,18H,5-6,9-10,12H2,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 114910004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).