2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine

C12H15NO3S — CID 134965346

IUPAC2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESC=CC1OCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3S/c1-3-12-13(8-9-16-12)17(14,15)11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3
InChIKeyRGGOIXCQQXPTIT-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.53
Rot. Bonds3

About 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine

2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 134965346) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
PubChem CID134965346
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
SMILESC=CC1OCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3S/c1-3-12-13(8-9-16-12)17(14,15)11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3
InChIKeyRGGOIXCQQXPTIT-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
CID 134927481
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonylaziridine
CID 102594700
tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
CID 11156581
(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enylpiperidine
CID 101399954
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
(1R,4R,6S)-6-ethenyl-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane
CID 50900433
4-ethenyl-2-hex-5-enyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102462603
(2S,5S)-5-benzyl-2-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
CID 102266547

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine (CID 134965346) is 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine is C=CC1OCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is RGGOIXCQQXPTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-12-13(8-9-16-12)17(14,15)11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3.
What are the key properties of 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine?
2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 253.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 134965346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).