Basic information
- Standard SMILES
CS(=O)(=O)OC1CCN(CCc2ccc(N3CCCC3)cc2)C1- InChIKey
YKKPZJRBZOCLDP-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3S
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.16641387
Names & identifiers
- Preferred name
- [1-[2-(4-Pyrrolidin-1-ylphenyl)ethyl]pyrrolidin-3-yl] methanesulfonate
- IUPAC
- [1-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrrolidin-3-yl] methanesulfonate
Database identifiers
- PubChem CID
- 22934166
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Related reactions
2 records
Compound notes
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