Basic information
- Standard SMILES
O=[S@](NC1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2- InChIKey
JRNNLVSIHVOOLX-IVLCCYGXSA-N- Molecular formula
- C22H32N2OS
- Average molar mass
- 372.6 g/mol
Names & identifiers
- Preferred name
- (S)-N-(1-(2-phenylethyl)pyrrolidin-3-yl)-1-adamantanesulfinamide
- IUPAC
- (S)-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-sulfinamide
Names & synonyms
JRNNLVSIHVOOLX-IVLCCYGXSA-N(S)-N-(1-(2-phenylethyl)pyrrolidin-3-yl)-1-adamantanesulfinamide
Database identifiers
- PubChem CID
- 70172045
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Related reactions
1 records
Compound notes
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