3-(1-benzothiophen-3-yl)propan-1-amine

C11H13NS — CID 22662949

IUPAC3-(1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1csc2ccccc12
InChIInChI=1S/C11H13NS/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7,12H2
InChIKeyDXNBRXCWQXLZDV-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.79
Rot. Bonds3

About 3-(1-benzothiophen-3-yl)propan-1-amine

3-(1-benzothiophen-3-yl)propan-1-amine (PubChem CID 22662949) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)propan-1-amine
PubChem CID22662949
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name3-(1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1csc2ccccc12
InChIInChI=1S/C11H13NS/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7,12H2
InChIKeyDXNBRXCWQXLZDV-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)propan-1-amine (CID 22662949) is 3-(1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)propan-1-amine is NCCCc1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is DXNBRXCWQXLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7,12H2.
What are the key properties of 3-(1-benzothiophen-3-yl)propan-1-amine?
3-(1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 22662949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).