(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide

C16H17NO4S2 — CID 11291087

IUPAC(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
SMILESCc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H](c3ccccc3)O[S@]2=O)cc1
InChIInChI=1S/C16H17NO4S2/c1-12-8-10-15(11-9-12)23(19,20)17-13(2)16(21-22(17)18)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-,22+/m0/s1
InChIKeyGFVLQDUEPBMSBN-UMLSUDCWSA-N
MW351.45 g/mol
LogP2.72
Rot. Bonds3

About (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide

(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide (PubChem CID 11291087) has the molecular formula C16H17NO4S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide.

Molecular Properties

Compound Name(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
PubChem CID11291087
Molecular FormulaC16H17NO4S2
Molecular Weight351.45 g/mol
Exact Mass351.06
IUPAC Name(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
SMILESCc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H](c3ccccc3)O[S@]2=O)cc1
InChIInChI=1S/C16H17NO4S2/c1-12-8-10-15(11-9-12)23(19,20)17-13(2)16(21-22(17)18)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-,22+/m0/s1
InChIKeyGFVLQDUEPBMSBN-UMLSUDCWSA-N
XLogP2.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide?
The IUPAC name of (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide (CID 11291087) is (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide.
What is the SMILES notation for (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide?
The canonical SMILES for (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide is Cc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H](c3ccccc3)O[S@]2=O)cc1.
What is the InChIKey of (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide?
The InChIKey is GFVLQDUEPBMSBN-UMLSUDCWSA-N. The full InChI is InChI=1S/C16H17NO4S2/c1-12-8-10-15(11-9-12)23(19,20)17-13(2)16(21-22(17)18)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/t13-,16-,22+/m0/s1.
What are the key properties of (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide?
(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide has a molecular weight of 351.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide is sourced from PubChem (CID 11291087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).