(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine

C13H14N2S — CID 60930294

IUPAC(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine
SMILESCc1cc(CN)ccc1Sc1ccccn1
InChIInChI=1S/C13H14N2S/c1-10-8-11(9-14)5-6-12(10)16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3
InChIKeyNHCFDFKLHPGBAY-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.00
Rot. Bonds3

About (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine

(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine (PubChem CID 60930294) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine
PubChem CID60930294
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine
SMILESCc1cc(CN)ccc1Sc1ccccn1
InChIInChI=1S/C13H14N2S/c1-10-8-11(9-14)5-6-12(10)16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3
InChIKeyNHCFDFKLHPGBAY-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine
CID 114484730
3-methyl-4-pyridin-2-ylsulfanylbenzonitrile
CID 60928811
2-[4-(aminomethyl)-2-methylphenyl]sulfanylpyrimidine-4,6-diamine
CID 63813161
[3-methyl-4-(2-methylfuran-3-yl)sulfanylphenyl]methanamine
CID 107783293
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63806325
[2-(2-methoxyphenyl)sulfanyl-4-pyridinyl]methanamine
CID 61289802
5-methyl-2-pyridin-2-ylsulfanylbenzonitrile
CID 107930929
5-(aminomethyl)-2-pyrimidin-4-ylsulfanylbenzonitrile
CID 114063939
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine?
The IUPAC name of (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine (CID 60930294) is (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine is Cc1cc(CN)ccc1Sc1ccccn1.
What is the InChIKey of (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine?
The InChIKey is NHCFDFKLHPGBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-10-8-11(9-14)5-6-12(10)16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3.
What are the key properties of (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine?
(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine has a molecular weight of 230.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 60930294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).