4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one

C12H15NO4S — CID 141265332

IUPAC4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCS(=O)(=O)c1cccc(C2C(=O)NCC2CO)c1
InChIInChI=1S/C12H15NO4S/c1-18(16,17)10-4-2-3-8(5-10)11-9(7-14)6-13-12(11)15/h2-5,9,11,14H,6-7H2,1H3,(H,13,15)
InChIKeyAGGMWTNCJRTJTL-UHFFFAOYSA-N
MW269.32 g/mol
LogP-0.09
Rot. Bonds3

About 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one

4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 141265332) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one
PubChem CID141265332
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCS(=O)(=O)c1cccc(C2C(=O)NCC2CO)c1
InChIInChI=1S/C12H15NO4S/c1-18(16,17)10-4-2-3-8(5-10)11-9(7-14)6-13-12(11)15/h2-5,9,11,14H,6-7H2,1H3,(H,13,15)
InChIKeyAGGMWTNCJRTJTL-UHFFFAOYSA-N
XLogP-0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one (CID 141265332) is 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one is CS(=O)(=O)c1cccc(C2C(=O)NCC2CO)c1.
What is the InChIKey of 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is AGGMWTNCJRTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-18(16,17)10-4-2-3-8(5-10)11-9(7-14)6-13-12(11)15/h2-5,9,11,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one?
4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 269.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(3-methylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 141265332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).