5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one

C11H14N2O4S — CID 14011249

IUPAC5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2CC(CN)OC2=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(15,16)10-4-2-8(3-5-10)13-7-9(6-12)17-11(13)14/h2-5,9H,6-7,12H2,1H3
InChIKeyVMKDQFUHDXPAEZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.37
Rot. Bonds3

About 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one (PubChem CID 14011249) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
PubChem CID14011249
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2CC(CN)OC2=O)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(15,16)10-4-2-8(3-5-10)13-7-9(6-12)17-11(13)14/h2-5,9H,6-7,12H2,1H3
InChIKeyVMKDQFUHDXPAEZ-UHFFFAOYSA-N
XLogP0.37
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
prop-2-ynyl 4-[[3-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]piperidine-1-carboxylate
CID 50991015
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one (CID 14011249) is 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one is CS(=O)(=O)c1ccc(N2CC(CN)OC2=O)cc1.
What is the InChIKey of 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is VMKDQFUHDXPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18(15,16)10-4-2-8(3-5-10)13-7-9(6-12)17-11(13)14/h2-5,9H,6-7,12H2,1H3.
What are the key properties of 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 270.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14011249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).