2-(4-methylphenyl)sulfanylpyridin-3-amine

C12H12N2S — CID 902017

IUPAC2-(4-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(Sc2ncccc2N)cc1
InChIInChI=1S/C12H12N2S/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3
InChIKeyFKLKNCDUOJPVOZ-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.12
Rot. Bonds2

About 2-(4-methylphenyl)sulfanylpyridin-3-amine

2-(4-methylphenyl)sulfanylpyridin-3-amine (PubChem CID 902017) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylpyridin-3-amine
PubChem CID902017
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-(4-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(Sc2ncccc2N)cc1
InChIInChI=1S/C12H12N2S/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3
InChIKeyFKLKNCDUOJPVOZ-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)sulfanylpyridin-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 2-(4-methylphenyl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(4-methylphenyl)sulfanylpyridin-3-amine (CID 902017) is 2-(4-methylphenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(4-methylphenyl)sulfanylpyridin-3-amine is Cc1ccc(Sc2ncccc2N)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanylpyridin-3-amine?
The InChIKey is FKLKNCDUOJPVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-4-6-10(7-5-9)15-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanylpyridin-3-amine?
2-(4-methylphenyl)sulfanylpyridin-3-amine has a molecular weight of 216.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 902017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).