(4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one

C14H19NO4S — CID 10685425

IUPAC(4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
SMILESCc1ccc(S(=O)(=O)N2COC(=O)[C@@H]2CC(C)C)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)8-13-14(16)19-9-15(13)20(17,18)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyHBIRYRXAGJWHSD-ZDUSSCGKSA-N
MW297.38 g/mol
LogP1.91
Rot. Bonds4

About (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one

(4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one (PubChem CID 10685425) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
PubChem CID10685425
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
SMILESCc1ccc(S(=O)(=O)N2COC(=O)[C@@H]2CC(C)C)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)8-13-14(16)19-9-15(13)20(17,18)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyHBIRYRXAGJWHSD-ZDUSSCGKSA-N
XLogP1.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-3-(4-methylphenyl)sulfonyl-5-oxo-1,3-oxazolidin-4-yl]acetaldehyde
CID 54466783
2-[3-(4-methylphenyl)sulfonyl-5-oxo-1,3-oxazolidin-4-yl]acetaldehyde
CID 19742155
1-(4-methylphenyl)sulfonyl-2-(2-methylpropyl)azetidin-3-one
CID 102598880
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)aziridine
CID 100926221
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
(2R)-2-[(2S)-butan-2-yl]-1-(4-methylphenyl)sulfonylaziridine
CID 59088200
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
1-(4-methylphenyl)sulfonylpiperidine-2-carbaldehyde
CID 11140100
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
(4S,4aR,10bR)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline
CID 54754253
(4S)-3-(4-methylphenyl)sulfonyl-2-[2-[(4S)-3-(4-methylphenyl)sulfonyl-5-oxo-4-propan-2-yl-1,3,2-oxazaphospholidin-2-yl]ethyl]-4-propan-2-yl-1,3,2-oxazaphospholidin-5-one
CID 177389370

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one (CID 10685425) is (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one is Cc1ccc(S(=O)(=O)N2COC(=O)[C@@H]2CC(C)C)cc1.
What is the InChIKey of (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
The InChIKey is HBIRYRXAGJWHSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(2)8-13-14(16)19-9-15(13)20(17,18)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one?
(4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one has a molecular weight of 297.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 10685425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).