5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione

C12H13NO5S — CID 66561877

IUPAC5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC(C)(C)C2=O)cc1
InChIInChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3
InChIKeyFXXBETJZKKPYFW-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.44
Rot. Bonds2

About 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione (PubChem CID 66561877) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione
PubChem CID66561877
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)OC(C)(C)C2=O)cc1
InChIInChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3
InChIKeyFXXBETJZKKPYFW-UHFFFAOYSA-N
XLogP1.44
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methoxypropionyl)-4,N-dimethyl-benzenesulfonamide
CID 47347721
5,5-Dimethyl-3-(4-methylphenyl)sulfonyl-4-(2-methylprop-1-enylidene)-1,3-oxazolidin-2-one
CID 10860211
4-Ethenylidene-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 11140915
(4S)-4-ethenyl-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 11323890
5,5-Dimethyl-3-(4-methylbenzene-1-sulfonyl)-4-methylidene-1,3-oxazolidin-2-one
CID 14784612
3-Tosyl-2,5-oxazoliddione
CID 129677217
5-Methyl-3-((4-methylphenyl)sulfonyl)-2-oxazolidinone
CID 15902689
2-methoxy-2-methyl-N-(4-methylphenyl)sulfonylpropanamide
CID 101096877
(S)-1-oxo-1-(2-oxoxoxazolidine-3-yl)propyl-2-yl-4-methylbenzoate
CID 155891764
5,5-Bis(ethenyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 11616301
4-Ethenyl-5,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1,3-oxazolidin-2-one
CID 15186609
5-Ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 15902690

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione (CID 66561877) is 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione is Cc1ccc(S(=O)(=O)N2C(=O)OC(C)(C)C2=O)cc1.
What is the InChIKey of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione?
The InChIKey is FXXBETJZKKPYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-8-4-6-9(7-5-8)19(16,17)13-10(14)12(2,3)18-11(13)15/h4-7H,1-3H3.
What are the key properties of 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione has a molecular weight of 283.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 66561877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).