1-Isopropylpyrrolidin-3-yl methanesulphonate
Basic information
- Standard SMILES
CC(C)N1CCC(OS(C)(=O)=O)C1- InChIKey
YSWOJDGVNQCMRB-UHFFFAOYSA-N- Molecular formula
- C8H17NO3S
- Average molar mass
- 207.29 g/mol
- Monoisotopic mass
- 207.09291458
Names & identifiers
- Preferred name
- 1-Isopropylpyrrolidin-3-yl methanesulphonate
- IUPAC
- (1-propan-2-ylpyrrolidin-3-yl) methanesulfonate
Names & synonyms
SCHEMBL1928262YSWOJDGVNQCMRB-UHFFFAOYSA-N1-isopropylpyrrolidin-3-yl methanesulphonate
Database identifiers
- PubChem CID
- 21914310
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Related reactions
6 records
Compound notes
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