1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one

C12H13F2NOS — CID 56812382

IUPAC1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSc1ccc(F)cc1F
InChIInChI=1S/C12H13F2NOS/c13-9-3-4-11(10(14)8-9)17-7-6-15-5-1-2-12(15)16/h3-4,8H,1-2,5-7H2
InChIKeyLAQFLRRNDVPKHZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one

1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one (PubChem CID 56812382) has the molecular formula C12H13F2NOS and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one
PubChem CID56812382
Molecular FormulaC12H13F2NOS
Molecular Weight257.30 g/mol
Exact Mass257.07
IUPAC Name1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCSc1ccc(F)cc1F
InChIInChI=1S/C12H13F2NOS/c13-9-3-4-11(10(14)8-9)17-7-6-15-5-1-2-12(15)16/h3-4,8H,1-2,5-7H2
InChIKeyLAQFLRRNDVPKHZ-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-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

2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 24980954
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
n-(2-Cyanoethyl)-2-((2,5-difluorophenyl)thio)-N-methylacetamide
CID 43395533
2-((4-fluorophenyl)thio)-N-(5-oxopyrrolidin-3-yl)acetamide
CID 56765680
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 57393121
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
2-(3,4-difluorophenyl)sulfanyl-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 72130104
2-(p-fluorophenylthio)-1-[(S)-3-(methylthio)-1-pyrrolidinyl]-1-ethanone
CID 97427187
N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
CID 15152841
1-[1-(4-Fluorophenyl)sulfanylethyl]pyrrolidin-2-one
CID 101898098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one (CID 56812382) is 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one is O=C1CCCN1CCSc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one?
The InChIKey is LAQFLRRNDVPKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NOS/c13-9-3-4-11(10(14)8-9)17-7-6-15-5-1-2-12(15)16/h3-4,8H,1-2,5-7H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one?
1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one has a molecular weight of 257.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)sulfanylethyl]pyrrolidin-2-one is sourced from PubChem (CID 56812382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).