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

C13H15NO4S — CID 14784612

IUPAC5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C13H15NO4S/c1-9-5-7-11(8-6-9)19(16,17)14-10(2)13(3,4)18-12(14)15/h5-8H,2H2,1,3-4H3
InChIKeyVSELDPUJJSHYES-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.43
Rot. Bonds2

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

5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 14784612) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID14784612
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C
InChIInChI=1S/C13H15NO4S/c1-9-5-7-11(8-6-9)19(16,17)14-10(2)13(3,4)18-12(14)15/h5-8H,2H2,1,3-4H3
InChIKeyVSELDPUJJSHYES-UHFFFAOYSA-N
XLogP2.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 14784612) is 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is VSELDPUJJSHYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-9-5-7-11(8-6-9)19(16,17)14-10(2)13(3,4)18-12(14)15/h5-8H,2H2,1,3-4H3.
What are the key properties of 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 281.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidene-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14784612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).