1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine dihydrochloride

C₁₄H₁₉Cl₂N₃O₂SCAS 140663-38-3364.28 g/mol

Open in Covalent MOL file

Secondary amine Sulfonamide

Properties

Molecular formula: C₁₄H₁₉Cl₂N₃O₂S
Molar mass: 364.28 g/mol
Exact mass: 363.0575 Da
logP: 2.06Crippen estimate
Polar surface area: 62.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

140663-38-3

SMILES

CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

InChIKey

YHYNDFTUZMEYNX-UHFFFAOYSA-N

InChI

InChI=1S/C14H17N3O2S.2ClH/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14;;/h2-6,9,11,16H,7-8,10H2,1H3;2*1H

Weigh it out

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

Names and synonyms

1 names

1-(5-Isoquinolinylsulfonyl)-3-methyl-piperazine dihydrochloride

Work with 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine dihydrochloride

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

Fasudil hydrochloride105628-07-765 % similar Fasudil103745-39-760 % similar H 8 Dihydrochloride113276-94-149 % similar H-9 Dihydrochloride116700-36-848 % similar 5-Isoquinolinesulfonic acid27655-40-941 % similar 5-Isoquinolinesulfonyl chloride84468-15-541 % similar Kn-62127191-97-336 % similar H-89127243-85-035 % similar

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

Same formula

H 7 Dihydrochloride108930-17-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook