3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride

C₁₁H₁₄ClN₃SCAS 144010-02-6255.76 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₄ClN₃S
Molar mass: 255.76 g/mol
Exact mass: 255.0597 Da
logP: 2.13Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

144010-02-6

SMILES

Cl.c1ccc2c(N3CCNCC3)nsc2c1

InChIKey

DOQLJTKEUIJSKK-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H

Weigh it out

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

Names and synonyms

3 names

1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride (1:?)
1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride
3-(Piperazin-1-yl)benzoisothiazole hydrochloride

Work with 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride

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

3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-091 % similar Sm 9018129273-38-749 % similar 1-Phenylpiperazine hydrochloride2210-93-747 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-245 % similar Lurasidone hydrochloride367514-88-344 % similar Ziprasidone hydrochloride122883-93-644 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-142 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-842 % similar

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

Same formula

3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride87691-88-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook