(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide

C15H16N2O2S — CID 10891528

IUPAC(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCc1ccc([C@@H]2NS(=O)(=O)N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-7-9-13(10-8-11)15-14(16-20(18,19)17-15)12-5-3-2-4-6-12/h2-10,14-17H,1H3/t14-,15+/m1/s1
InChIKeyTZRKHBGOHOVUPC-CABCVRRESA-N
MW288.37 g/mol
LogP2.22
Rot. Bonds2

About (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide

(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 10891528) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID10891528
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCc1ccc([C@@H]2NS(=O)(=O)N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-7-9-13(10-8-11)15-14(16-20(18,19)17-15)12-5-3-2-4-6-12/h2-10,14-17H,1H3/t14-,15+/m1/s1
InChIKeyTZRKHBGOHOVUPC-CABCVRRESA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 10891528) is (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide is Cc1ccc([C@@H]2NS(=O)(=O)N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is TZRKHBGOHOVUPC-CABCVRRESA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-7-9-13(10-8-11)15-14(16-20(18,19)17-15)12-5-3-2-4-6-12/h2-10,14-17H,1H3/t14-,15+/m1/s1.
What are the key properties of (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide?
(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 288.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 10891528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).