chempirical

Intepirdine

C19H19N3O2SCAS 607742-69-8353.44 g/mol

Open in Covalent MOL file
OSONNNH
Secondary amineSulfoneTertiary amine

Properties

Molecular formula
C19H19N3O2S
Molar mass
353.44 g/mol
Exact mass
353.1198 Da
logP
2.48Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
607742-69-8
SMILES
O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChIKey
JJZFWROHYSMCMU-UHFFFAOYSA-N
InChI
InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2

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

Names and synonyms

6 names
  • Quinoline, 3-(phenylsulfonyl)-8-(1-piperazinyl)-
  • 3-(Phenylsulfonyl)-8-(1-piperazinyl)quinoline
  • 3-Phenylsulfonyl-8-(piperazin-1-yl)quinoline
  • SB 742457
  • GSK 742457
  • RVT 101

Work with Intepirdine

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-Naphthyl)piperazine57536-86-444 % similar 1-(2-Chlorophenyl)piperazine39512-50-042 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-839 % similar 1-Benzenesulfonyl-piperazine14172-55-538 % similar 2,3-Dichlorophenylpiperazine41202-77-137 % similar 2-(1-Piperazinyl)benzaldehyde736991-52-937 % similar 1-(2-Methylphenyl)piperazine39512-51-136 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook