1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one

C10H10ClNOS — CID 168710154

IUPAC1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccccc1Cl
InChIInChI=1S/C10H10ClNOS/c11-8-3-1-2-4-9(8)12-6-7(14)5-10(12)13/h1-4,7,14H,5-6H2
InChIKeyIVVBURIBOJGSNH-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.38
Rot. Bonds1

About 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one

1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710154) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710154
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1ccccc1Cl
InChIInChI=1S/C10H10ClNOS/c11-8-3-1-2-4-9(8)12-6-7(14)5-10(12)13/h1-4,7,14H,5-6H2
InChIKeyIVVBURIBOJGSNH-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168710558
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-[2-(dimethylamino)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708351
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(4-chloro-2,5-dimethylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709013
1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
3-chloro-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzonitrile
CID 168709631
4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one
CID 56907199
4-amino-1-(2-chlorophenyl)piperidin-2-one
CID 83642987
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one (CID 168710154) is 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is IVVBURIBOJGSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c11-8-3-1-2-4-9(8)12-6-7(14)5-10(12)13/h1-4,7,14H,5-6H2.
What are the key properties of 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one?
1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 227.72 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).