5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

C13H13NO4S3 — CID 61167567

IUPAC5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C13H13NO4S3/c15-13(16)11-3-4-12(20-11)21(17,18)14(10-1-2-10)7-9-5-6-19-8-9/h3-6,8,10H,1-2,7H2,(H,15,16)
InChIKeySYGDLQUQZKMUKE-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.86
Rot. Bonds6

About 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61167567) has the molecular formula C13H13NO4S3 and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61167567
Molecular FormulaC13H13NO4S3
Molecular Weight343.45 g/mol
Exact Mass343.00
IUPAC Name5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C13H13NO4S3/c15-13(16)11-3-4-12(20-11)21(17,18)14(10-1-2-10)7-9-5-6-19-8-9/h3-6,8,10H,1-2,7H2,(H,15,16)
InChIKeySYGDLQUQZKMUKE-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
N-[4-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]phenyl]acetamide
CID 47082304
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
6-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 62158435
2-amino-4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433555
2-amino-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 61433464
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 26531289
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 51055462

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61167567) is 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)s1.
What is the InChIKey of 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SYGDLQUQZKMUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S3/c15-13(16)11-3-4-12(20-11)21(17,18)14(10-1-2-10)7-9-5-6-19-8-9/h3-6,8,10H,1-2,7H2,(H,15,16).
What are the key properties of 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 343.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(thiophen-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61167567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).