N,N-Dimethylsulfamide

C2H8N2O2SCAS 3984-14-3124.16 g/mol

Open in Covalent MOL file
NSOONH2

Properties

Molecular formula
C2H8N2O2S
Molar mass
124.16 g/mol
Exact mass
124.0306 Da
logP
-1.25Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3984-14-3
SMILES
CN(C)S(=O)(=O)N
InChIKey
QMHAHUAQAJVBIW-UHFFFAOYSA-N
InChI
InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.70 (br s, 2H), 2.68 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 35.4.
[M + H]+
[M + H]+ Calcd for C2H9N2O2S 125.0379
[M + Na]+
[M + Na]+ Calcd for C2H8N2NaO2S 147.0199
[M − H]−
[M − H]− Calcd for C2H7N2O2S 123.0234
Elemental analysis
Anal. Calcd for C2H8N2O2S: C, 19.35; H, 6.49; N, 22.56; S, 25.82.

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Work with N,N-Dimethylsulfamide

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

N,N-Dimethylmethanesulphonamide918-05-838 % similar Dimethylsulfamoyl chloride13360-57-136 % similar 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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