(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C9H16N2O5S2 — CID 79864242

IUPAC(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O5S2/c1-10(3-4-18(2,15)16)9(14)11-6-17-5-7(11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyGSRVEUWBYDXBGZ-ZETCQYMHSA-N
MW296.37 g/mol
LogP-0.46
Rot. Bonds4

About (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79864242) has the molecular formula C9H16N2O5S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID79864242
Molecular FormulaC9H16N2O5S2
Molecular Weight296.37 g/mol
Exact Mass296.05
IUPAC Name(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCN(CCS(C)(=O)=O)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O5S2/c1-10(3-4-18(2,15)16)9(14)11-6-17-5-7(11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyGSRVEUWBYDXBGZ-ZETCQYMHSA-N
XLogP-0.46
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-hydroxy-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79865146
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204589
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54995462
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54969155
(4R)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003404
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104864060
3-[(4-chlorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61415002
(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200290
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 79864242) is (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CN(CCS(C)(=O)=O)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GSRVEUWBYDXBGZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O5S2/c1-10(3-4-18(2,15)16)9(14)11-6-17-5-7(11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79864242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).