Benzo(b)thiophene, 2-chloro-3-(2-(4-piperidyl)ethylamino)-, 1,1-dioxide
Basic information
- CAS
66729-75-7- Standard SMILES
O=S1(=O)C(Cl)=C(NCCN2CCCCC2)c2ccccc21- InChIKey
GJMCQOCRSNSQAB-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O2S
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.0855767
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2-chloro-3-(2-(4-piperidyl)ethylamino)-, 1,1-dioxide
- IUPAC
- 2-chloro-1,1-dioxo-N-(2-piperidin-1-ylethyl)-1-benzothiophen-3-amine
Names & synonyms
BRN 0427607BENZO(b)THIOPHENE, 2-CHLORO-3-(2-(4-PIPERIDYL)ETHYLAMINO)-, 1,1-DIOXIDE66729-75-7DTXSID102168722-Chloro-3-(2-(4-piperidyl)ethylamino)benzo(b)thiophene 1,1-dioxideRefChem:326188DTXCID401393632-Chloro-3-{[2-(piperidin-1-yl)ethyl]amino}-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
66729-75-7- PubChem CID
- 48026
- DTXSID
DTXSID10216872
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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