5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid

C9H13NO4S2 — CID 29033671

IUPAC5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H13NO4S2/c1-6(2)4-10-16(13,14)8-3-7(5-15-8)9(11)12/h3,5-6,10H,4H2,1-2H3,(H,11,12)
InChIKeyMYADYHHCHOKPBX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.38
Rot. Bonds5

About 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid

5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 29033671) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID29033671
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C9H13NO4S2/c1-6(2)4-10-16(13,14)8-3-7(5-15-8)9(11)12/h3,5-6,10H,4H2,1-2H3,(H,11,12)
InChIKeyMYADYHHCHOKPBX-UHFFFAOYSA-N
XLogP1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777620
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 104654871
5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]thiophene-3-carboxylic acid
CID 106142997
5-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-3-carboxylic acid
CID 112672367
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid (CID 29033671) is 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid is CC(C)CNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is MYADYHHCHOKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-6(2)4-10-16(13,14)8-3-7(5-15-8)9(11)12/h3,5-6,10H,4H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid?
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 29033671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).