(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one

C14H15NO3S — CID 11011294

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CC[C@H]1C=CC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H15NO3S/c1-3-4-12-7-10-14(16)15(12)19(17,18)13-8-5-11(2)6-9-13/h3,5-10,12H,1,4H2,2H3/t12-/m0/s1
InChIKeyDQLVFRZPQZFWLW-LBPRGKRZSA-N
MW277.35 g/mol
LogP2.03
Rot. Bonds4

About (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one

(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 11011294) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one
PubChem CID11011294
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CC[C@H]1C=CC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H15NO3S/c1-3-4-12-7-10-14(16)15(12)19(17,18)13-8-5-11(2)6-9-13/h3,5-10,12H,1,4H2,2H3/t12-/m0/s1
InChIKeyDQLVFRZPQZFWLW-LBPRGKRZSA-N
XLogP2.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-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 (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one (CID 11011294) is (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one is C=CC[C@H]1C=CC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is DQLVFRZPQZFWLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-4-12-7-10-14(16)15(12)19(17,18)13-8-5-11(2)6-9-13/h3,5-10,12H,1,4H2,2H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one?
(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 277.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 11011294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).