1-(dimethylsulfamoyl)imidazole-4-carboxylic acid

C6H9N3O4S — CID 19002093

IUPAC1-(dimethylsulfamoyl)imidazole-4-carboxylic acid
SMILESCN(C)S(=O)(=O)n1cnc(C(=O)O)c1
InChIInChI=1S/C6H9N3O4S/c1-8(2)14(12,13)9-3-5(6(10)11)7-4-9/h3-4H,1-2H3,(H,10,11)
InChIKeySWYULRFOZLOTCH-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.76
Rot. Bonds3

About 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid

1-(dimethylsulfamoyl)imidazole-4-carboxylic acid (PubChem CID 19002093) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)imidazole-4-carboxylic acid
PubChem CID19002093
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name1-(dimethylsulfamoyl)imidazole-4-carboxylic acid
SMILESCN(C)S(=O)(=O)n1cnc(C(=O)O)c1
InChIInChI=1S/C6H9N3O4S/c1-8(2)14(12,13)9-3-5(6(10)11)7-4-9/h3-4H,1-2H3,(H,10,11)
InChIKeySWYULRFOZLOTCH-UHFFFAOYSA-N
XLogP-0.76
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid (CID 19002093) is 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid is CN(C)S(=O)(=O)n1cnc(C(=O)O)c1.
What is the InChIKey of 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid?
The InChIKey is SWYULRFOZLOTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-8(2)14(12,13)9-3-5(6(10)11)7-4-9/h3-4H,1-2H3,(H,10,11).
What are the key properties of 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid?
1-(dimethylsulfamoyl)imidazole-4-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 19002093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).