3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

C17H24N2S — CID 54767576

IUPAC3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1cc2ccccc2s1)N1CCCC1
InChIInChI=1S/C17H24N2S/c1-18(2)12-9-15(19-10-5-6-11-19)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
InChIKeyFFTJRFHZXXMTTK-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.99
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 54767576) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID54767576
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1cc2ccccc2s1)N1CCCC1
InChIInChI=1S/C17H24N2S/c1-18(2)12-9-15(19-10-5-6-11-19)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3
InChIKeyFFTJRFHZXXMTTK-UHFFFAOYSA-N
XLogP3.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 114910004
[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine
CID 114910251
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-[1-(1-benzothiophen-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426442
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-[1-benzothiophen-2-yl-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5032514
1-[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-4-yl]ethanamine
CID 114910264
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 118205577
1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4279685

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (CID 54767576) is 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is CN(C)CCC(c1cc2ccccc2s1)N1CCCC1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is FFTJRFHZXXMTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-18(2)12-9-15(19-10-5-6-11-19)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 54767576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).