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

C₁₁H₁₃N₃SCAS 87691-87-0219.31 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃N₃S
Molar mass: 219.31 g/mol
Exact mass: 219.0830 Da
Melting point: 87–91 °C
logP: 1.71Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

87691-87-0

SMILES

c1ccc2c(N3CCNCC3)nsc2c1

InChIKey

KRDOFMHJLWKXIU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

1,2-Benzisothiazole, 3-(1-piperazinyl)-
N-(3-Benzisothiazolyl)piperazine
1-(1,2-Benzisothiazol-3-yl)piperazine
MJ 14069
1-(Benzoisothiazol-3-yl)piperazine
ID 11614
3-(Piperazin-1-yl)benzoisothiazole
3-Piperazin-1-yl-benzo[d]isothiazole
1-(Benzisothiazol-3-yl)piperazine
3-(1-Piperazinyl)-1,2-benzothiazole
4-(1,2-Benzisothiazol-3-yl)-1-piperazine

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

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-benzisothiazole hydrochloride144010-02-691 % similar 3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride87691-88-191 % similar Sm 9018129273-38-744 % similar 1-(1-Naphthyl)piperazine57536-86-444 % similar Phenylpiperazine92-54-643 % similar Lurasidone367514-87-241 % similar Pyridinylpiperazine34803-66-241 % similar Ziprasidone146939-27-741 % similar

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

Elsewhere

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