(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

C17H21NO6S — CID 101220474

IUPAC(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2C(=O)O[C@H](C3CCCCC3)[C@H]2C(=O)O)cc1
InChIInChI=1S/C17H21NO6S/c1-11-7-9-13(10-8-11)25(22,23)18-14(16(19)20)15(24-17(18)21)12-5-3-2-4-6-12/h7-10,12,14-15H,2-6H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyPJGNOCAUNAXNOK-LSDHHAIUSA-N
MW367.42 g/mol
LogP2.54
Rot. Bonds4

About (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 101220474) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID101220474
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2C(=O)O[C@H](C3CCCCC3)[C@H]2C(=O)O)cc1
InChIInChI=1S/C17H21NO6S/c1-11-7-9-13(10-8-11)25(22,23)18-14(16(19)20)15(24-17(18)21)12-5-3-2-4-6-12/h7-10,12,14-15H,2-6H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyPJGNOCAUNAXNOK-LSDHHAIUSA-N
XLogP2.54
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-3-(4-methylphenyl)sulfonyl-2-oxo-5-pentyl-1,3-oxazolidine-4-carboxylic acid
CID 101220479
(4R,5S)-4-benzoyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-one
CID 11133598
(3aR,8aS)-3-(4-methylphenyl)sulfonyl-6,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]oxazol-2-one
CID 101064112
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
(3aS,7aR)-3-(4-methylphenyl)sulfonyl-3a,6,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 11098356
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(3aR,6aR)-3-(4-methylphenyl)sulfonyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 102263590
(4R,5R)-5-bromo-4-[(E)-but-2-en-2-yl]-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-one
CID 139191972
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4-[3-(4-methylphenyl)sulfonyl-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]pent-4-enal
CID 101163622
(5aR,10aR)-11-(4-methylphenyl)sulfonyl-2-phenyl-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzoxazine
CID 101470149
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 101220474) is (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is Cc1ccc(S(=O)(=O)N2C(=O)O[C@H](C3CCCCC3)[C@H]2C(=O)O)cc1.
What is the InChIKey of (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is PJGNOCAUNAXNOK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-11-7-9-13(10-8-11)25(22,23)18-14(16(19)20)15(24-17(18)21)12-5-3-2-4-6-12/h7-10,12,14-15H,2-6H2,1H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
(4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 367.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 101220474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).