1-Methanesulfonyl-piperazine

C₅H₁₂N₂O₂SCAS 55276-43-2164.22 g/mol

Open in Covalent MOL file

Secondary amine Sulfonamide

Properties

Molecular formula: C₅H₁₂N₂O₂S
Molar mass: 164.22 g/mol
Exact mass: 164.0619 Da
logP: -1.15Crippen estimate
Polar surface area: 49.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

55276-43-2

SMILES

CS(=O)(=O)N1CCNCC1

InChIKey

ZZAKLGGGMWORRT-UHFFFAOYSA-N

InChI

InChI=1S/C5H12N2O2S/c1-10(8,9)7-4-2-6-3-5-7/h6H,2-5H2,1H3

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Names and synonyms

1 names

1-(Methylsulfonyl)piperazine

Work with 1-Methanesulfonyl-piperazine

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-(Methanesulfonyl)piperidin-4-amine402927-97-350 % similar 1-Ethylsulfonyl-piperazine62937-96-650 % similar Piperazine-1-sulfonic acid dimethylamide98961-97-850 % similar 1-(1-Piperidinylsulfonyl)piperazine500587-48-446 % similar 1-Methanesulfonylpiperidin-4-amine hydrochloride651057-01-145 % similar 1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-040 % similar 1-Benzenesulfonyl-piperazine14172-55-539 % similar 1-(4-Chloro-benzenesulfonyl)-piperazine16017-53-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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