5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C7H9NO5S2 — CID 127020813

IUPAC5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)O)sc1C(=O)O
InChIInChI=1S/C7H9NO5S2/c1-4-3-5(14-6(4)7(9)10)15(12,13)8(2)11/h3,11H,1-2H3,(H,9,10)
InChIKeyCDEFKPKRDKWAOG-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.76
Rot. Bonds3

About 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 127020813) has the molecular formula C7H9NO5S2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID127020813
Molecular FormulaC7H9NO5S2
Molecular Weight251.28 g/mol
Exact Mass250.99
IUPAC Name5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)O)sc1C(=O)O
InChIInChI=1S/C7H9NO5S2/c1-4-3-5(14-6(4)7(9)10)15(12,13)8(2)11/h3,11H,1-2H3,(H,9,10)
InChIKeyCDEFKPKRDKWAOG-UHFFFAOYSA-N
XLogP0.76
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56798963
5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43578743
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
3-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275730
5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60951024
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60952426
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 127020813) is 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(C)O)sc1C(=O)O.
What is the InChIKey of 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is CDEFKPKRDKWAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S2/c1-4-3-5(14-6(4)7(9)10)15(12,13)8(2)11/h3,11H,1-2H3,(H,9,10).
What are the key properties of 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 127020813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).