3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C9H10ClNO4S3 — CID 103099619

IUPAC3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CSCC2C(=O)O)sc1Cl
InChIInChI=1S/C9H10ClNO4S3/c1-5-2-7(17-8(5)10)18(14,15)11-4-16-3-6(11)9(12)13/h2,6H,3-4H2,1H3,(H,12,13)
InChIKeyYNKHNRWGGVZKNZ-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.86
Rot. Bonds3

About 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103099619) has the molecular formula C9H10ClNO4S3 and a molecular weight of 327.84 g/mol. Its IUPAC name is 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID103099619
Molecular FormulaC9H10ClNO4S3
Molecular Weight327.84 g/mol
Exact Mass326.95
IUPAC Name3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CSCC2C(=O)O)sc1Cl
InChIInChI=1S/C9H10ClNO4S3/c1-5-2-7(17-8(5)10)18(14,15)11-4-16-3-6(11)9(12)13/h2,6H,3-4H2,1H3,(H,12,13)
InChIKeyYNKHNRWGGVZKNZ-UHFFFAOYSA-N
XLogP1.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332
(4R)-3-(3-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61141539
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106054
methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 103100590
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
(4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142127
(4R)-3-(2-chloro-5-cyanophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 80704459
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43210339
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 103099619) is 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is Cc1cc(S(=O)(=O)N2CSCC2C(=O)O)sc1Cl.
What is the InChIKey of 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YNKHNRWGGVZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S3/c1-5-2-7(17-8(5)10)18(14,15)11-4-16-3-6(11)9(12)13/h2,6H,3-4H2,1H3,(H,12,13).
What are the key properties of 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 327.84 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103099619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).