5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one

C9H9ClN2O2S — CID 168710438

IUPAC5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one
SMILESO=C1CC(S)CN1c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C9H9ClN2O2S/c10-5-1-7(9(14)11-3-5)12-4-6(15)2-8(12)13/h1,3,6,15H,2,4H2,(H,11,14)
InChIKeyJKCKICCFNHBJHC-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.06
Rot. Bonds1

About 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one

5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one (PubChem CID 168710438) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one
PubChem CID168710438
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one
SMILESO=C1CC(S)CN1c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C9H9ClN2O2S/c10-5-1-7(9(14)11-3-5)12-4-6(15)2-8(12)13/h1,3,6,15H,2,4H2,(H,11,14)
InChIKeyJKCKICCFNHBJHC-UHFFFAOYSA-N
XLogP1.06
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710154
1-(4-chloro-2,5-dimethylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709013
1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168710558
1-(6-amino-1H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709735
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
1-[2-(dimethylamino)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708351
1-(4-fluoro-2-iodophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710105
1-(2-bromo-4-methylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708828
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
1-(2-amino-3-bromo-5-fluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one (CID 168710438) is 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one is O=C1CC(S)CN1c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one?
The InChIKey is JKCKICCFNHBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c10-5-1-7(9(14)11-3-5)12-4-6(15)2-8(12)13/h1,3,6,15H,2,4H2,(H,11,14).
What are the key properties of 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one?
5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one has a molecular weight of 244.70 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 168710438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).