chempirical

1,1-Dimethylethyl N-(aminosulfonyl)carbamate

C5H12N2O4SCAS 148017-28-1196.22 g/mol

Open in Covalent MOL file
OONHSNH2OO

Properties

Molecular formula
C5H12N2O4S
Molar mass
196.22 g/mol
Exact mass
196.0518 Da
logP
-0.08Crippen estimate
Polar surface area
102.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
148017-28-1
SMILES
CC(C)(C)OC(O)=NS(N)(=O)=O
InChIKey
WPCQASPMIALUEE-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8)(H2,6,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Carbamic acid, N-(aminosulfonyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (aminosulfonyl)-, 1,1-dimethylethyl ester
  • tert-Butoxycarbonylsulfamide
  • N-(tert-Butoxycarbonyl)sulfamide
  • tert-Butyl N-(sulfamoyl)carbamate

Work with 1,1-Dimethylethyl N-(aminosulfonyl)carbamate

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

1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-850 % similar tert-Butyl carbazate870-46-250 % similar tert-Butyl N-hydroxycarbamate36016-38-347 % similar Di-tert-butyl-iminodicarboxylate51779-32-946 % similar N-Boc-ethylenediamine57260-73-843 % similar N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-343 % similar N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-142 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook