N,N-Dimethylmethanesulphonamide

C₃H₉NO₂SCAS 918-05-8123.17 g/mol

Open in Covalent MOL file

Sulfonamide

Properties

Molecular formula: C₃H₉NO₂S
Molar mass: 123.17 g/mol
Exact mass: 123.0354 Da
Melting point: 50–51 °C
Boiling point: 103 °C (at 8 Torr)
logP: -0.49Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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

918-05-8

SMILES

CN(C)S(C)(=O)=O

InChIKey

WCFDSGHAIGTEKL-UHFFFAOYSA-N

InChI

InChI=1S/C3H9NO2S/c1-4(2)7(3,5)6/h1-3H3

Weigh it out

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

Names and synonyms

3 names

N,N-Dimethylmethanesulfonamide
Methanesulfonamide, N,N-dimethyl-
NSC 66043

Work with N,N-Dimethylmethanesulphonamide

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

Dimethylsulfamoyl chloride13360-57-138 % similar N,N-Dimethylsulfamide3984-14-338 % similar 1-Methanesulfonyl-piperazine55276-43-236 % similar 1-(Methanesulfonyl)piperidin-4-amine402927-97-333 % similar 1-Methanesulfonylpiperidin-4-amine hydrochloride651057-01-130 % similar Imidazole-1-sulfonic acid dimethyl amine78162-58-030 % similar

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

Elsewhere

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