3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C9H13ClN2S — CID 131159951

IUPAC3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCNc1nccc(C)c1Cl
InChIInChI=1S/C9H13ClN2S/c1-7-3-4-11-9(8(7)10)12-5-6-13-2/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyQTIULBSIAUKYBA-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.82
Rot. Bonds4

About 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 131159951) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID131159951
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCNc1nccc(C)c1Cl
InChIInChI=1S/C9H13ClN2S/c1-7-3-4-11-9(8(7)10)12-5-6-13-2/h3-4H,5-6H2,1-2H3,(H,11,12)
InChIKeyQTIULBSIAUKYBA-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine 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

2-chloro-4-methyl-N-(4-methylsulfanylbutyl)pyridin-3-amine
CID 103088102
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
3,4-dimethyl-N-propylpyridin-2-amine
CID 123894121
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 166271449
3-chloro-2,4-dimethylpyridine
CID 12508368
2,3-dichloro-4-methylpyridine
CID 18930251
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 131159951) is 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCNc1nccc(C)c1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is QTIULBSIAUKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-7-3-4-11-9(8(7)10)12-5-6-13-2/h3-4H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 216.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 131159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).