1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one

C10H11ClN2OS — CID 168709041

IUPAC1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESCc1cc(N2CC(S)CC2=O)cnc1Cl
InChIInChI=1S/C10H11ClN2OS/c1-6-2-7(4-12-10(6)11)13-5-8(15)3-9(13)14/h2,4,8,15H,3,5H2,1H3
InChIKeySQARLVWFOWLYIF-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.08
Rot. Bonds1

About 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one

1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709041) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709041
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESCc1cc(N2CC(S)CC2=O)cnc1Cl
InChIInChI=1S/C10H11ClN2OS/c1-6-2-7(4-12-10(6)11)13-5-8(15)3-9(13)14/h2,4,8,15H,3,5H2,1H3
InChIKeySQARLVWFOWLYIF-UHFFFAOYSA-N
XLogP2.08
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one 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

1-(6-chloro-5-methyl-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670637
1-(6-chloro-5-methyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709069
1-(4-chloro-2,5-dimethylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709013
1-(5,6-dimethyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702673
1-(2,6-dibromo-4-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168710389
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168710005
1-(3-methyl-4-morpholin-4-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708808
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
1-(4-methylpyrimidin-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709168

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one (CID 168709041) is 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one is Cc1cc(N2CC(S)CC2=O)cnc1Cl.
What is the InChIKey of 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is SQARLVWFOWLYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6-2-7(4-12-10(6)11)13-5-8(15)3-9(13)14/h2,4,8,15H,3,5H2,1H3.
What are the key properties of 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 242.73 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).