1,2-Benzisothiazole-3-carboxamide, N-(2-(cyclohexylamino)ethyl)-, monohydrochloride
Basic information
- CAS
35531-85-2- Standard SMILES
Cl.O=C(NCCNC1CCCCC1)c1nsc2ccccc12- InChIKey
MESSJADDSHXFBN-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3OS
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1172112
Names & identifiers
- Preferred name
- 1,2-Benzisothiazole-3-carboxamide, N-(2-(cyclohexylamino)ethyl)-, monohydrochloride
- IUPAC
- N-[2-(cyclohexylamino)ethyl]-1,2-benzothiazole-3-carboxamide;hydrochloride
Names & synonyms
N-(2-(Cyclohexylamino)ethyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride35531-85-2N-Cicloesil-N-(2-(1,2-benzitosiazol-3-ilcarbossiamido)etil)amina [Italian]1,2-Benzisothiazole-3-carboxamide, N-(2-(cyclohexylamino)ethyl)-, monohydrochlorideN-Cicloesil-N-(2-(1,2-benzitosiazol-3-ilcarbossiamido)etil)aminaRefChem:215597DTXSID30956920N-[2-(Cyclohexylamino)ethyl]-1,2-benzothiazole-3-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
35531-85-2- PubChem CID
- 215341
- DTXSID
DTXSID30956920
Properties
Computed structural properties
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…