Basic information
- CAS
39566-59-1- Standard SMILES
Cl.O=C(NCCCN1CCCCC1)c1nsc2ccccc12- InChIKey
CXBLTKSCERQHCG-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-(3-piperidinopropyl)-, monohydrochloride
- IUPAC
- N-(3-piperidin-1-ylpropyl)-1,2-benzothiazole-3-carboxamide;hydrochloride
Names & synonyms
1,2-Benzisothiazole-3-carboxamide, N-(3-piperidinopropyl)-, monohydrochloride39566-59-1DTXSID50192681N-(3-Piperidinopropyl)-1,2-benzisothiazole-3-carboxamide monohydrochloride1,2-Benzisothiazole-3-carboxamide, N-(3-(1-piperidinyl)propyl)-, monohydrochlorideRefChem:215600DTXCID901151721,2-Benzisothiazole-3-carboxamide, N-(3-(1-piperidinyl)propyl)-, monohydrochloride (9CI)N-[3-(Piperidin-1-yl)propyl]-1,2-benzothiazole-3-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
39566-59-1- PubChem CID
- 217752
- DTXSID
DTXSID50192681
Properties
Computed structural properties
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 2
- 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
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