Piperazine-1-sulfonic acid dimethylamide

C₆H₁₅N₃O₂SCAS 98961-97-8193.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₅N₃O₂S
Molar mass: 193.26 g/mol
Exact mass: 193.0885 Da
logP: -1.30Crippen estimate
Polar surface area: 52.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

98961-97-8

SMILES

CN(C)S(=O)(=O)N1CCNCC1

InChIKey

NQZDGTYTTVHKPE-UHFFFAOYSA-N

InChI

InChI=1S/C6H15N3O2S/c1-8(2)12(10,11)9-5-3-7-4-6-9/h7H,3-6H2,1-2H3

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Names and synonyms

1 names

N,N-Dimethylpiperazine-1-sulfonamide

Work with Piperazine-1-sulfonic acid dimethylamide

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-Piperidinylsulfonyl)piperazine500587-48-459 % similar 1-Methanesulfonyl-piperazine55276-43-250 % similar 1-Ethylsulfonyl-piperazine62937-96-647 % similar Methylpiperazine109-01-338 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-038 % similar 1-Benzenesulfonyl-piperazine14172-55-537 % similar 1-Methylpiperazine dihydrochloride34352-59-534 % similar 1-(4-Chloro-benzenesulfonyl)-piperazine16017-53-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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