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

C10H13NO4S2 — CID 63329014

IUPAC4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13NO4S2/c1-6-9(5-8(16-6)10(12)13)17(14,15)11-7-3-2-4-7/h5,7,11H,2-4H2,1H3,(H,12,13)
InChIKeyXDGZQBBLVFYVSG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.59
Rot. Bonds4

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

4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 63329014) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
PubChem CID63329014
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13NO4S2/c1-6-9(5-8(16-6)10(12)13)17(14,15)11-7-3-2-4-7/h5,7,11H,2-4H2,1H3,(H,12,13)
InChIKeyXDGZQBBLVFYVSG-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329133
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898
4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 107416766
5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43696889
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid (CID 63329014) is 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is XDGZQBBLVFYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-6-9(5-8(16-6)10(12)13)17(14,15)11-7-3-2-4-7/h5,7,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63329014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).