4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide

C10H13N3O4S — CID 93181902

IUPAC4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
SMILESNC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(=O)O1
InChIInChI=1S/C10H13N3O4S/c11-5-8-6-13(10(14)17-8)7-1-3-9(4-2-7)18(12,15)16/h1-4,8H,5-6,11H2,(H2,12,15,16)/t8-/m0/s1
InChIKeyCDRJGPPLCNUVDU-QMMMGPOBSA-N
MW271.30 g/mol
LogP-0.38
Rot. Bonds3

About 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide (PubChem CID 93181902) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
PubChem CID93181902
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
SMILESNC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(=O)O1
InChIInChI=1S/C10H13N3O4S/c11-5-8-6-13(10(14)17-8)7-1-3-9(4-2-7)18(12,15)16/h1-4,8H,5-6,11H2,(H2,12,15,16)/t8-/m0/s1
InChIKeyCDRJGPPLCNUVDU-QMMMGPOBSA-N
XLogP-0.38
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
(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)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-[4-(3-hydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 135215945
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide (CID 93181902) is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide is NC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)C(=O)O1.
What is the InChIKey of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide?
The InChIKey is CDRJGPPLCNUVDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O4S/c11-5-8-6-13(10(14)17-8)7-1-3-9(4-2-7)18(12,15)16/h1-4,8H,5-6,11H2,(H2,12,15,16)/t8-/m0/s1.
What are the key properties of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide?
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 93181902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).