5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid

C10H13NO4S2 — CID 104656510

IUPAC5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C1CCC1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H13NO4S2/c1-11(8-3-2-4-8)17(14,15)9-5-7(6-16-9)10(12)13/h5-6,8H,2-4H2,1H3,(H,12,13)
InChIKeyZIPFRYBQNQFTEF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.62
Rot. Bonds4

About 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid

5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 104656510) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID104656510
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C1CCC1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H13NO4S2/c1-11(8-3-2-4-8)17(14,15)9-5-7(6-16-9)10(12)13/h5-6,8H,2-4H2,1H3,(H,12,13)
InChIKeyZIPFRYBQNQFTEF-UHFFFAOYSA-N
XLogP1.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 82733477
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60950128
4-amino-N-cyclohexyl-N-methylthiophene-2-sulfonamide
CID 61300333
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 63236674
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid (CID 104656510) is 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid is CN(C1CCC1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is ZIPFRYBQNQFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-11(8-3-2-4-8)17(14,15)9-5-7(6-16-9)10(12)13/h5-6,8H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 104656510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).