4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

C14H17NO4S — CID 15186609

IUPAC4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=CC1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C14H17NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h5-9,12H,1H2,2-4H3
InChIKeyLBWFAKDIJNCTNW-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.47
Rot. Bonds3

About 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 15186609) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID15186609
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=CC1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C14H17NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h5-9,12H,1H2,2-4H3
InChIKeyLBWFAKDIJNCTNW-UHFFFAOYSA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione
CID 66561877
3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one
CID 195162
tert-Butyl 1-methyl-4-pentenyl((4-methylphenyl)sulfonyl)carbamate
CID 367947
3-[(4-Methylphenyl)sulfonyl]-1,3-oxazolidin-2-one
CID 809333
tert-Butyl (2S)-2-(((4-methylbenzene-1-sulfonyl)oxy)methyl)pyrrolidine-1-carboxylate
CID 11783214
[(5S)-3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 13178154
tert-Butyl methyl(tosyl)carbamate
CID 22660067
Toluene-4-sulfonic acid 3-isopropyl-2-oxo-oxazolidin-5-ylmethyl ester
CID 557631
(4S,5S)-5-tert-butyl-4-[(4E)-hexa-1,4-dien-2-yl]-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 10068178
(3aS,6aR)-3-(4-methylphenyl)sulfonyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 10956852
(3aR,6aS)-3-(4-methylphenyl)sulfonyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-2-one
CID 10967880
tert-butyl N-(4-methylphenyl)sulfonyl-N-prop-2-ynylcarbamate
CID 11716534

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 15186609) is 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=CC1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C.
What is the InChIKey of 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is LBWFAKDIJNCTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h5-9,12H,1H2,2-4H3.
What are the key properties of 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15186609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).