1-[(4-Methylphenyl)sulfonyl]piperazine

C₁₁H₁₆N₂O₂SCAS 27106-51-0240.32 g/mol

Open in Covalent MOL file

Secondary amine Sulfonamide

Properties

Molecular formula: C₁₁H₁₆N₂O₂S
Molar mass: 240.32 g/mol
Exact mass: 240.0932 Da
Melting point: 110 °C
pKa: 7.4
logP: 0.59Crippen estimate
Polar surface area: 49.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27106-51-0

SMILES

Cc1ccc(S(=O)(=O)N2CCNCC2)cc1

InChIKey

VHFDYFUMWJSVCA-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3

Weigh it out

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

Names and synonyms

11 names

Piperazine, 1-[(4-methylphenyl)sulfonyl]-
Piperazine, 1-(p-tolylsulfonyl)-
N-Toluenesulfonylpiperazine
N-(p-Toluenesulfonyl)piperazine
N-(p-Tolylsulfonyl)piperazine
1-(p-Tolylsulfonyl)piperazine
1-(p-Tosyl)piperazine
1-Tosylpiperazine
1-(4-Methylphenyl)sulfonyl-2,3,5,6-tetrahydropyrazine
1-(Toluene-4-sulfonyl)-piperazine
1-(4-Methylbenzenesulfonyl)piperazine

Work with 1-[(4-Methylphenyl)sulfonyl]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-Benzenesulfonyl-piperazine14172-55-567 % similar 1-(4-Chloro-benzenesulfonyl)-piperazine16017-53-166 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-266 % similar N-Tosyl-2,5-dihydropyrrole16851-72-260 % similar 1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarboxylic acid147636-36-053 % similar 1-(p-Tolyl)piperazine39593-08-349 % similar Diazald80-11-546 % similar 4-(Pyrrolidine-1-sulfonyl)aniline88327-91-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-1 O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate41840-28-2 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-1 (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide902146-43-4

Elsewhere

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