4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid

C11H15NO4S2 — CID 55203054

IUPAC4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C11H15NO4S2/c1-6(8-3-4-8)12-18(15,16)10-5-9(11(13)14)17-7(10)2/h5-6,8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyPFMKHKHLGCYMNC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds5

About 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid

4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 55203054) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
PubChem CID55203054
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C11H15NO4S2/c1-6(8-3-4-8)12-18(15,16)10-5-9(11(13)14)17-7(10)2/h5-6,8,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyPFMKHKHLGCYMNC-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

4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328950
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114160472
3-bromo-5-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 81488528

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid (CID 55203054) is 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is PFMKHKHLGCYMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-6(8-3-4-8)12-18(15,16)10-5-9(11(13)14)17-7(10)2/h5-6,8,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
4-(1-cyclopropylethylsulfamoyl)-5-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 4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 55203054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).