(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one

C12H14N2O3S — CID 11265602

IUPAC(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
SMILESC=C[C@H]1CNC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-10-8-13-12(15)14(10)18(16,17)11-6-4-9(2)5-7-11/h3-7,10H,1,8H2,2H3,(H,13,15)/t10-/m0/s1
InChIKeyKVTRNNVIOVCYOI-JTQLQIEISA-N
MW266.32 g/mol
LogP1.26
Rot. Bonds3

About (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one

(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one (PubChem CID 11265602) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
PubChem CID11265602
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
SMILESC=C[C@H]1CNC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-10-8-13-12(15)14(10)18(16,17)11-6-4-9(2)5-7-11/h3-7,10H,1,8H2,2H3,(H,13,15)/t10-/m0/s1
InChIKeyKVTRNNVIOVCYOI-JTQLQIEISA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 10790460
(4R,5S)-5-tert-butyl-4-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 15177624
(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one
CID 154708498
(4S,5S)-4-ethenyl-5-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 15177614
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
(5S)-5-but-3-enyl-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 134600463
(3aR,6aR)-3-(4-methylphenyl)sulfonyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 102263590
(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonylaziridine
CID 102594700
(4S,5S)-4-ethenyl-3-(4-methylphenyl)sulfonyl-5-propyl-1,3-oxazolidin-2-one
CID 15177618
2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 77140020
(4S,5S)-5-ethenyl-1-(4-methylphenyl)sulfonyl-4-(2-phenylsulfanylethyl)imidazolidin-2-one
CID 102332795
3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 102224159

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
The IUPAC name of (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one (CID 11265602) is (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one.
What is the SMILES notation for (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
The canonical SMILES for (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one is C=C[C@H]1CNC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
The InChIKey is KVTRNNVIOVCYOI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-10-8-13-12(15)14(10)18(16,17)11-6-4-9(2)5-7-11/h3-7,10H,1,8H2,2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one?
(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one is sourced from PubChem (CID 11265602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).