4-[(1-Pyrrolidinylsulfonyl)methyl]benzenamine

C₁₁H₁₆N₂O₂SCAS 334981-10-1240.32 g/mol

Open in Covalent MOL file

Primary Amine Sulfone Tertiary Amine

Properties

Molecular formula: C₁₁H₁₆N₂O₂S
Molar mass: 240.32 g/mol
Exact mass: 240.0932 Da
logP: 1.19Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

334981-10-1

SMILES

Nc1ccc(CS(=O)(=O)N2CCCC2)cc1

InChIKey

VNSKHALYBQZMFW-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2

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Names and synonyms

3 names

Benzenamine, 4-[(1-pyrrolidinylsulfonyl)methyl]-
Pyrrolidine, 1-[[(4-aminophenyl)methyl]sulfonyl]-
1-((4-Aminobenzenemethane)sulfonyl)pyrrolidine

Work with 4-[(1-Pyrrolidinylsulfonyl)methyl]benzenamine

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

Same formula

1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-0 O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate41840-28-2 (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide902146-43-4

Elsewhere

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