5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid

C11H14N2O5S2 — CID 61028177

IUPAC5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H14N2O5S2/c1-12-10(14)7-3-2-6-13(7)20(17,18)9-5-4-8(19-9)11(15)16/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyOYPUCJGWQARKBN-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.35
Rot. Bonds4

About 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid

5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 61028177) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID61028177
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H14N2O5S2/c1-12-10(14)7-3-2-6-13(7)20(17,18)9-5-4-8(19-9)11(15)16/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyOYPUCJGWQARKBN-UHFFFAOYSA-N
XLogP0.35
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60950937
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 82747749
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 61028177) is 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid is CNC(=O)C1CCCN1S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is OYPUCJGWQARKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-12-10(14)7-3-2-6-13(7)20(17,18)9-5-4-8(19-9)11(15)16/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid?
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 61028177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).