3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C9H13NO4S2 — CID 43314392

IUPAC3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC(C)C)sc1C(=O)O
InChIInChI=1S/C9H13NO4S2/c1-5(2)10-16(13,14)7-4-6(3)8(15-7)9(11)12/h4-5,10H,1-3H3,(H,11,12)
InChIKeyALTDCKCZTCDATB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds4

About 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43314392) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43314392
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC(C)C)sc1C(=O)O
InChIInChI=1S/C9H13NO4S2/c1-5(2)10-16(13,14)7-4-6(3)8(15-7)9(11)12/h4-5,10H,1-3H3,(H,11,12)
InChIKeyALTDCKCZTCDATB-UHFFFAOYSA-N
XLogP1.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43706036
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43314392) is 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NC(C)C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is ALTDCKCZTCDATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-5(2)10-16(13,14)7-4-6(3)8(15-7)9(11)12/h4-5,10H,1-3H3,(H,11,12).
What are the key properties of 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43314392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).