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

C10H11ClN2OS — CID 168708954

IUPAC1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESCc1ccc(N2CC(S)CC2=O)c(Cl)n1
InChIInChI=1S/C10H11ClN2OS/c1-6-2-3-8(10(11)12-6)13-5-7(15)4-9(13)14/h2-3,7,15H,4-5H2,1H3
InChIKeyKCCRPDNQBOCJIZ-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.08
Rot. Bonds1

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

1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168708954) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168708954
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
SMILESCc1ccc(N2CC(S)CC2=O)c(Cl)n1
InChIInChI=1S/C10H11ClN2OS/c1-6-2-3-8(10(11)12-6)13-5-7(15)4-9(13)14/h2-3,7,15H,4-5H2,1H3
InChIKeyKCCRPDNQBOCJIZ-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'}

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Related Compounds

4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168507873
S-[1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705628
methyl 1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693793
1-(6-chloro-5-methyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709069
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710154
1-(4-chloro-2,5-dimethylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709013
1-(2-bromo-4-methylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708828
1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709125
1-(4-bromo-2,3-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710062
1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709041

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one (CID 168708954) is 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one is Cc1ccc(N2CC(S)CC2=O)c(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is KCCRPDNQBOCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6-2-3-8(10(11)12-6)13-5-7(15)4-9(13)14/h2-3,7,15H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one?
1-(2-chloro-6-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-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168708954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).