(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine

C10H12ClNO2S2 — CID 949918

IUPAC(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCS[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S2/c1-16(13,14)12-6-7-15-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyDTHFZMXOZNAKDG-SNVBAGLBSA-N
MW277.80 g/mol
LogP2.35
Rot. Bonds2

About (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine

(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 949918) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID949918
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCS[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S2/c1-16(13,14)12-6-7-15-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyDTHFZMXOZNAKDG-SNVBAGLBSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine (CID 949918) is (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine is CS(=O)(=O)N1CCS[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is DTHFZMXOZNAKDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c1-16(13,14)12-6-7-15-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine?
(2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 277.80 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 949918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).