2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

C10H14N2O4S2 — CID 55235914

IUPAC2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H14N2O4S2/c1-7-12(9(6-17-7)10(13)14)18(15,16)8-3-4-11(2)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,14)
InChIKeyPJRHPPXRRPNJKP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235914) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235914
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H14N2O4S2/c1-7-12(9(6-17-7)10(13)14)18(15,16)8-3-4-11(2)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,14)
InChIKeyPJRHPPXRRPNJKP-UHFFFAOYSA-N
XLogP0.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-Methylpyrrol-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258815
4-(methylsulfonyl)-2-(1H-pyrrol-1-yl)butanoic acid
CID 18071760
(2S)-4-methylsulfonyl-2-pyrrol-1-ylbutanoic acid
CID 28161701
(2R)-4-methylsulfonyl-2-pyrrol-1-ylbutanoic acid
CID 28161703
2-[Methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid
CID 43294271
1-(1-Methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43294278
2-[(1-Methylpyrrol-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43294298
4-methylsulfanyl-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294299
2-[(1-Methylpyrrol-3-yl)sulfonylamino]propanoic acid
CID 43294308
2-[(1-Methylpyrrol-3-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
CID 43294342
4-methylsulfonyl-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294343
3-(1-Methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43294354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 55235914) is 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PJRHPPXRRPNJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-12(9(6-17-7)10(13)14)18(15,16)8-3-4-11(2)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).