3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C11H15N3O5S2 — CID 63781844

IUPAC3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C11H15N3O5S2/c1-6-14(9(5-20-6)11(16)17)21(18,19)7-3-8(10(12)15)13(2)4-7/h3-4,6,9H,5H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyPZYKOWYAPHPHLO-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.34
Rot. Bonds4

About 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781844) has the molecular formula C11H15N3O5S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781844
Molecular FormulaC11H15N3O5S2
Molecular Weight333.39 g/mol
Exact Mass333.05
IUPAC Name3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C11H15N3O5S2/c1-6-14(9(5-20-6)11(16)17)21(18,19)7-3-8(10(12)15)13(2)4-7/h3-4,6,9H,5H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyPZYKOWYAPHPHLO-UHFFFAOYSA-N
XLogP-0.34
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 55235914
3-(3-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780237
3-(3,4-dichlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780418
4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120719214
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
2-methyl-3-(2,4,6-trifluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781850
(3R)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632093
3-(2-chlorophenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782024
1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 104976475
3-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780776
2-methyl-3-(2-phenylethenylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 77006564
methyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423589

Frequently Asked Questions

What is the IUPAC name of 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63781844) is 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PZYKOWYAPHPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S2/c1-6-14(9(5-20-6)11(16)17)21(18,19)7-3-8(10(12)15)13(2)4-7/h3-4,6,9H,5H2,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).