1-(5-Isoquinolinylsulfonyl)piperazine

C₁₃H₁₅N₃O₂SCAS 84468-24-6277.34 g/mol

Open in Covalent MOL file

Secondary Amine Sulfone Tertiary Amine

Properties

Molecular formula: C₁₃H₁₅N₃O₂S
Molar mass: 277.34 g/mol
Exact mass: 277.0885 Da
Melting point: 162 °C
logP: 0.83Crippen estimate
Polar surface area: 62.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

84468-24-6

SMILES

O=S(=O)(c1cccc2cnccc12)N1CCNCC1

InChIKey

UPTYCYWTFGTCCG-UHFFFAOYSA-N

InChI

InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2

Weigh it out

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

Names and synonyms

5 names

Isoquinoline, 5-(1-piperazinylsulfonyl)-
Piperazine, 1-(5-isoquinolinylsulfonyl)-
5-(1-Piperazinylsulfonyl)isoquinoline
HA 100 (pharmaceutical)
HA 100

Work with 1-(5-Isoquinolinylsulfonyl)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

Elsewhere

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