2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine

C13H14N2OS — CID 66280907

IUPAC2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
SMILESCOc1cccc(Sc2ncc(C)cc2N)c1
InChIInChI=1S/C13H14N2OS/c1-9-6-12(14)13(15-8-9)17-11-5-3-4-10(7-11)16-2/h3-8H,14H2,1-2H3
InChIKeyLTGROOMKAIWVSF-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.13
Rot. Bonds3

About 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine

2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine (PubChem CID 66280907) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
PubChem CID66280907
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
SMILESCOc1cccc(Sc2ncc(C)cc2N)c1
InChIInChI=1S/C13H14N2OS/c1-9-6-12(14)13(15-8-9)17-11-5-3-4-10(7-11)16-2/h3-8H,14H2,1-2H3
InChIKeyLTGROOMKAIWVSF-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-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-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine (CID 66280907) is 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine is COc1cccc(Sc2ncc(C)cc2N)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine?
The InChIKey is LTGROOMKAIWVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-6-12(14)13(15-8-9)17-11-5-3-4-10(7-11)16-2/h3-8H,14H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine?
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine is sourced from PubChem (CID 66280907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).