Basic information
- Standard SMILES
CN1CCC(Sc2cn(C)c3ccc(C(=O)O)cc23)CC1- InChIKey
IDJGOMQRZAYKCS-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 1-methyl-3-[(1-methylpiperidin-4-yl)thio]-1H-indole-5-carboxylic acid
- IUPAC
- 1-methyl-3-(1-methylpiperidin-4-yl)sulfanylindole-5-carboxylic acid
Names & synonyms
SCHEMBL9173432IDJGOMQRZAYKCS-UHFFFAOYSA-N1-methyl-3-[(1-methylpiperidin-4-yl)thio]-1H-indole-5-carboxylic acid
Database identifiers
- PubChem CID
- 19936664
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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