2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine

C11H14BrNO3S2 — CID 661362

IUPAC2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(C)(=O)=O
InChIInChI=1S/C11H14BrNO3S2/c1-16-10-4-3-8(12)7-9(10)11-13(5-6-17-11)18(2,14)15/h3-4,7,11H,5-6H2,1-2H3
InChIKeyOLWRARLDJCZYKS-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.46
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine

2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 661362) has the molecular formula C11H14BrNO3S2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID661362
Molecular FormulaC11H14BrNO3S2
Molecular Weight352.28 g/mol
Exact Mass350.96
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(C)(=O)=O
InChIInChI=1S/C11H14BrNO3S2/c1-16-10-4-3-8(12)7-9(10)11-13(5-6-17-11)18(2,14)15/h3-4,7,11H,5-6H2,1-2H3
InChIKeyOLWRARLDJCZYKS-UHFFFAOYSA-N
XLogP2.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine (CID 661362) is 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine is COc1ccc(Br)cc1C1SCCN1S(C)(=O)=O.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is OLWRARLDJCZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S2/c1-16-10-4-3-8(12)7-9(10)11-13(5-6-17-11)18(2,14)15/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 352.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 661362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).