Basic information
- Standard SMILES
CC(C)CN(CC1CN(C(=O)OC(C)(C)C)CC1CNC(C)C)S(=O)(=O)c1ccccc1- InChIKey
SWECVVTVATUGJQ-UHFFFAOYSA-N- Molecular formula
- C24H41N3O4S
- Average molar mass
- 467.7 g/mol
- Monoisotopic mass
- 467.28177797
Names & identifiers
- Preferred name
- Tert-butyl 3-[[benzenesulfonyl(2-methylpropyl)amino]methyl]-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[benzenesulfonyl(2-methylpropyl)amino]methyl]-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3372859
Database identifiers
- PubChem CID
- 68617331
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 691
Related reactions
1 records
Compound notes
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