N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine

C15H16N2S — CID 81301992

IUPACN-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(NC1CSc2ccccc21)c1ccccn1
InChIInChI=1S/C15H16N2S/c1-11(13-7-4-5-9-16-13)17-14-10-18-15-8-3-2-6-12(14)15/h2-9,11,14,17H,10H2,1H3
InChIKeyNJYFGRXIUSTRKX-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.58
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine

N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81301992) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81301992
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC NameN-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(NC1CSc2ccccc21)c1ccccn1
InChIInChI=1S/C15H16N2S/c1-11(13-7-4-5-9-16-13)17-14-10-18-15-8-3-2-6-12(14)15/h2-9,11,14,17H,10H2,1H3
InChIKeyNJYFGRXIUSTRKX-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 81301992) is N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine is CC(NC1CSc2ccccc21)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is NJYFGRXIUSTRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11(13-7-4-5-9-16-13)17-14-10-18-15-8-3-2-6-12(14)15/h2-9,11,14,17H,10H2,1H3.
What are the key properties of N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 256.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81301992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).