(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C13H17NO4S2 — CID 53211332

IUPAC(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CSC[C@H]2C(=O)O)c(C)c1
InChIInChI=1S/C13H17NO4S2/c1-8-4-9(2)12(10(3)5-8)20(17,18)14-7-19-6-11(14)13(15)16/h4-5,11H,6-7H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyNWIONJMLDIFZLP-NSHDSACASA-N
MW315.42 g/mol
LogP1.76
Rot. Bonds3

About (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53211332) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53211332
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC Name(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CSC[C@H]2C(=O)O)c(C)c1
InChIInChI=1S/C13H17NO4S2/c1-8-4-9(2)12(10(3)5-8)20(17,18)14-7-19-6-11(14)13(15)16/h4-5,11H,6-7H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyNWIONJMLDIFZLP-NSHDSACASA-N
XLogP1.76
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 103099619
3-(5-chloro-2-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361506
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43210339
(4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142127
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
(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
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141879
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 53211332) is (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is Cc1cc(C)c(S(=O)(=O)N2CSC[C@H]2C(=O)O)c(C)c1.
What is the InChIKey of (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NWIONJMLDIFZLP-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO4S2/c1-8-4-9(2)12(10(3)5-8)20(17,18)14-7-19-6-11(14)13(15)16/h4-5,11H,6-7H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 315.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53211332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).