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

C17H24N2S — CID 54767413

IUPAC3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1csc2ccccc12)N1CCCC1
InChIInChI=1S/C17H24N2S/c1-18(2)12-9-16(19-10-5-6-11-19)15-13-20-17-8-4-3-7-14(15)17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyQHRPNPFRUGWUJT-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.99
Rot. Bonds5

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

3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 54767413) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID54767413
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1csc2ccccc12)N1CCCC1
InChIInChI=1S/C17H24N2S/c1-18(2)12-9-16(19-10-5-6-11-19)15-13-20-17-8-4-3-7-14(15)17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyQHRPNPFRUGWUJT-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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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (CID 54767413) is 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is CN(C)CCC(c1csc2ccccc12)N1CCCC1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is QHRPNPFRUGWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-18(2)12-9-16(19-10-5-6-11-19)15-13-20-17-8-4-3-7-14(15)17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
3-(1-benzothiophen-3-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-3-yl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 54767413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).