Basic information
- Standard SMILES
Cc1[nH]c2ccc(Cl)cc2c1S(=O)C1CCNCC1- InChIKey
XZTJVLKOOIHIDX-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2OS
- Average molar mass
- 296.8 g/mol
Names & identifiers
- Preferred name
- 5-chloro-2-methyl-3-(piperidin-4-yl-sulfinyl)-1H-indole
- IUPAC
- 5-chloro-2-methyl-3-piperidin-4-ylsulfinyl-1H-indole
Names & synonyms
SCHEMBL9173742XZTJVLKOOIHIDX-UHFFFAOYSA-N5-chloro-2-methyl-3-(piperidin-4-yl-sulfinyl)-1H-indole
Database identifiers
- PubChem CID
- 19936632
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Compound notes
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