5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid

C10H13NO5S2 — CID 80716792

IUPAC5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C10H13NO5S2/c1-6-9(4-8(17-6)10(12)13)18(14,15)11-7-2-3-16-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyJEGMALWKIDALLI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.82
Rot. Bonds4

About 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 80716792) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID80716792
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C10H13NO5S2/c1-6-9(4-8(17-6)10(12)13)18(14,15)11-7-2-3-16-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyJEGMALWKIDALLI-UHFFFAOYSA-N
XLogP0.82
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329133
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
4-bromo-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716502
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
2-[(3R,4S)-3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]oxan-4-yl]oxyacetic acid
CID 91790961

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid (CID 80716792) is 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC1CCOC1.
What is the InChIKey of 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is JEGMALWKIDALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-6-9(4-8(17-6)10(12)13)18(14,15)11-7-2-3-16-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 80716792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).