5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid

C10H13NO4S2 — CID 71196416

IUPAC5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H13NO4S2/c1-6-4-8(9(12)13)16-10(6)17(14,15)11-5-7-2-3-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyDGSQFYJPWHIQNY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.44
Rot. Bonds5

About 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid

5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 71196416) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
PubChem CID71196416
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H13NO4S2/c1-6-4-8(9(12)13)16-10(6)17(14,15)11-5-7-2-3-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyDGSQFYJPWHIQNY-UHFFFAOYSA-N
XLogP1.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-(cyclohex-3-en-1-ylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328574
methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 69034720
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 107416766
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329133
5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120610
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
1-(4,5-dimethylthiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 64722138

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid (CID 71196416) is 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1S(=O)(=O)NCC1CC1.
What is the InChIKey of 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is DGSQFYJPWHIQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-6-4-8(9(12)13)16-10(6)17(14,15)11-5-7-2-3-7/h4,7,11H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 71196416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).