6-(4-methylphenyl)sulfanylpyridin-3-amine

C12H12N2S — CID 2800121

IUPAC6-(4-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(Sc2ccc(N)cn2)cc1
InChIInChI=1S/C12H12N2S/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,13H2,1H3
InChIKeyLMYPUMQCZZBMSP-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.12
Rot. Bonds2

About 6-(4-methylphenyl)sulfanylpyridin-3-amine

6-(4-methylphenyl)sulfanylpyridin-3-amine (PubChem CID 2800121) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanylpyridin-3-amine
PubChem CID2800121
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name6-(4-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(Sc2ccc(N)cn2)cc1
InChIInChI=1S/C12H12N2S/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,13H2,1H3
InChIKeyLMYPUMQCZZBMSP-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 6-(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 6-(4-methylphenyl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(4-methylphenyl)sulfanylpyridin-3-amine (CID 2800121) is 6-(4-methylphenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(4-methylphenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(4-methylphenyl)sulfanylpyridin-3-amine is Cc1ccc(Sc2ccc(N)cn2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfanylpyridin-3-amine?
The InChIKey is LMYPUMQCZZBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,13H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfanylpyridin-3-amine?
6-(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 6-(4-methylphenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 2800121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).