[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine

C12H11ClN2S — CID 62924514

IUPAC[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
SMILESNCc1cc(Sc2cccc(Cl)c2)ccn1
InChIInChI=1S/C12H11ClN2S/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
InChIKeyXTNQETQHKNSMNE-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.34
Rot. Bonds3

About [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine

[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine (PubChem CID 62924514) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
PubChem CID62924514
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
SMILESNCc1cc(Sc2cccc(Cl)c2)ccn1
InChIInChI=1S/C12H11ClN2S/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
InChIKeyXTNQETQHKNSMNE-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine 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 [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
The IUPAC name of [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine (CID 62924514) is [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
The canonical SMILES for [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine is NCc1cc(Sc2cccc(Cl)c2)ccn1.
What is the InChIKey of [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
The InChIKey is XTNQETQHKNSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2.
What are the key properties of [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine?
[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine has a molecular weight of 250.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine is sourced from PubChem (CID 62924514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).