chempirical

Imidazole-1-sulfonic acid dimethyl amine

C5H9N3O2SCAS 78162-58-0175.21 g/mol

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NSOONN

Properties

Molecular formula
C5H9N3O2S
Molar mass
175.21 g/mol
Exact mass
175.0415 Da
logP
-0.46Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
78162-58-0
SMILES
CN(C)S(=O)(=O)N1C=CN=C1
InChIKey
YRRWNBMOJMMXQY-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3

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Names and synonyms

1 names
  • N,N-Dimethyl-1H-imidazole-1-sulfonamide

Work with Imidazole-1-sulfonic acid dimethyl amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-Sulfonyldiimidazole7189-69-752 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-352 % similar N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide135773-25-047 % similar 1-[(Trifluoromethyl)sulfonyl]-1H-imidazole29540-81-647 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-841 % similar 1-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-imidazole50257-39-139 % similar 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-imidazole50257-40-437 % similar 1-Methylimidazole616-47-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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