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

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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).