(5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C13H15NO3S — CID 11311626

IUPAC(5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESC=C[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO3S/c1-3-11-6-9-13(15)14(11)18(16,17)12-7-4-10(2)5-8-12/h3-5,7-8,11H,1,6,9H2,2H3/t11-/m0/s1
InChIKeyJCSUTRICUHUEJZ-NSHDSACASA-N
MW265.33 g/mol
LogP1.86
Rot. Bonds3

About (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

(5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 11311626) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID11311626
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESC=C[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO3S/c1-3-11-6-9-13(15)14(11)18(16,17)12-7-4-10(2)5-8-12/h3-5,7-8,11H,1,6,9H2,2H3/t11-/m0/s1
InChIKeyJCSUTRICUHUEJZ-NSHDSACASA-N
XLogP1.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
1-tosyl-1H-pyrrol-2(5H)-one
CID 13427336
4-[(2,5-Dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 71602410
4-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2316976
N-allyl-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
CID 2956482
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
1-[(2,4,6-Trimethylphenyl)sulfonyl]pyrrolidin-2-one
CID 766932
1-[5-Methyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-propan-1-one
CID 647061
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
N-(tert-butyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 2136205
N-cyclopentyl-3-{4-[(ethylamino)sulfonyl]phenyl}propanamide
CID 2222560
1-[(4-Methylphenyl)sulfonyl]-5-[(4-methyl-1-piperazinyl)carbonyl]-2-pyrrolidinone
CID 2956144

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 11311626) is (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is C=C[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is JCSUTRICUHUEJZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-11-6-9-13(15)14(11)18(16,17)12-7-4-10(2)5-8-12/h3-5,7-8,11H,1,6,9H2,2H3/t11-/m0/s1.
What are the key properties of (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
(5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 11311626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).