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

C14H15NO4S — CID 11140915

IUPAC4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C14H15NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h6-9H,1H2,2-4H3
InChIKeyVBUYZUAAMRVIFG-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.58
Rot. Bonds2

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

4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 11140915) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID11140915
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C14H15NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h6-9H,1H2,2-4H3
InChIKeyVBUYZUAAMRVIFG-UHFFFAOYSA-N
XLogP2.58
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 11140915) is 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=C=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C.
What is the InChIKey of 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is VBUYZUAAMRVIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-5-12-14(3,4)19-13(16)15(12)20(17,18)11-8-6-10(2)7-9-11/h6-9H,1H2,2-4H3.
What are the key properties of 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11140915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).