N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine

C13H14N2S — CID 3236190

IUPACN-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine
SMILESCSc1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C13H14N2S/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKeyPQZCQJCZFCQPBD-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.42
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine

N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine (PubChem CID 3236190) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine
PubChem CID3236190
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine
SMILESCSc1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C13H14N2S/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)
InChIKeyPQZCQJCZFCQPBD-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine (CID 3236190) is N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine is CSc1ccc(CNc2ccccn2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine?
The InChIKey is PQZCQJCZFCQPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-16-12-7-5-11(6-8-12)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine?
N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 3236190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).