(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one

C13H15NO3S — CID 154708498

IUPAC(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one
SMILESC/C=C\[C@H]1CC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO3S/c1-3-4-11-9-13(15)14(11)18(16,17)12-7-5-10(2)6-8-12/h3-8,11H,9H2,1-2H3/b4-3-/t11-/m0/s1
InChIKeyLEGSRFWIJIGNGK-BYCRGOAPSA-N
MW265.33 g/mol
LogP1.86
Rot. Bonds3

About (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one

(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one (PubChem CID 154708498) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one
PubChem CID154708498
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one
SMILESC/C=C\[C@H]1CC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H15NO3S/c1-3-4-11-9-13(15)14(11)18(16,17)12-7-5-10(2)6-8-12/h3-8,11H,9H2,1-2H3/b4-3-/t11-/m0/s1
InChIKeyLEGSRFWIJIGNGK-BYCRGOAPSA-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

4-(bromomethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 86016527
1-(4-methylphenyl)sulfonyl-4-prop-1-enylpiperidine
CID 134861906
1-(4-methylphenyl)sulfonyl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 132595782
(5S)-5-ethenyl-1-(4-methylphenyl)sulfonylimidazolidin-2-one
CID 11265602
(4aS,5R,8aR)-5-methyl-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11371454
1-(4-methylphenyl)sulfonylazetidine-2,4-dione
CID 82664020
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 135051669
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 101495389
3-ethyl-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 19893286
5-(4-methylphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13314202

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one?
The IUPAC name of (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one (CID 154708498) is (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one.
What is the SMILES notation for (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one?
The canonical SMILES for (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one is C/C=C\[C@H]1CC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one?
The InChIKey is LEGSRFWIJIGNGK-BYCRGOAPSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-4-11-9-13(15)14(11)18(16,17)12-7-5-10(2)6-8-12/h3-8,11H,9H2,1-2H3/b4-3-/t11-/m0/s1.
What are the key properties of (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one?
(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-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 (4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one is sourced from PubChem (CID 154708498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).