5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid

C11H15NO4S2 — CID 43533409

IUPAC5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC(C)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO4S2/c1-6-5-9(17-10(6)11(13)14)18(15,16)12-7(2)8-3-4-8/h5,7-8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyOCKAQACDALQCCF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds5

About 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid

5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid (PubChem CID 43533409) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
PubChem CID43533409
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC(C)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO4S2/c1-6-5-9(17-10(6)11(13)14)18(15,16)12-7(2)8-3-4-8/h5,7-8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyOCKAQACDALQCCF-UHFFFAOYSA-N
XLogP1.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43706036
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
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
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314452
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid (CID 43533409) is 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NC(C)C2CC2)sc1C(=O)O.
What is the InChIKey of 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
The InChIKey is OCKAQACDALQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-6-5-9(17-10(6)11(13)14)18(15,16)12-7(2)8-3-4-8/h5,7-8,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43533409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).