3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one

C13H17NO4S — CID 3636890

IUPAC3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one
SMILESCCC(N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO4S/c1-3-12(14-8-9-18-13(14)15)19(16,17)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyQXTUFIULGGXUHB-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.96
Rot. Bonds4

About 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one

3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one (PubChem CID 3636890) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one
PubChem CID3636890
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one
SMILESCCC(N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO4S/c1-3-12(14-8-9-18-13(14)15)19(16,17)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyQXTUFIULGGXUHB-UHFFFAOYSA-N
XLogP1.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25161527
1-Morpholino-2-tosylethanone
CID 285619
1-(2,6-Dimethyl-4-morpholinyl)-2-[(4-methylphenyl)sulfonyl]ethanone
CID 2767201
1-{[(4-Methylphenyl)sulfonyl]acetyl}pyrrolidine
CID 975432
3-[1-(Phenylsulfonyl)ethyl]-1,3-oxazolan-2-one
CID 3648605
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495950
3-Isopropyl-5-(4-toluenesulfonyloxymethyl)oxazolidin-2-one
CID 195162
3-[2-(4-Methylphenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione
CID 2820433
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16495953
3-[2-(2-Oxo-1,3-oxazolidin-3-yl)ethylsulfonyl]benzonitrile
CID 71852778
3-[(4-Methylphenyl)sulfonyl]-1,3-oxazolidin-2-one
CID 809333
[(5S)-3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 13178154

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one (CID 3636890) is 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one is CCC(N1CCOC1=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one?
The InChIKey is QXTUFIULGGXUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-3-12(14-8-9-18-13(14)15)19(16,17)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one?
3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one has a molecular weight of 283.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)sulfonylpropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3636890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).