Basic information
- Standard SMILES
CC(C)CS(=O)(=O)N1CCC2(CCN(c3ccc(C(C)(O)C(F)(F)F)cc3)C2=O)CC1- InChIKey
SBUSYNKANGBNMM-UHFFFAOYSA-N- Molecular formula
- C21H29F3N2O4S
- Average molar mass
- 462.5 g/mol
Names & identifiers
- Preferred name
- 8-(Isobutylsulfonyl)-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl)-2,8-diazaspiro[4.5]decan-1-one
- IUPAC
- 8-(2-methylpropylsulfonyl)-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-(isobutylsulfonyl)-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl)-2,8-diazaspiro[4.5]decan-1-oneSCHEMBL3738021
Database identifiers
- PubChem CID
- 59577985
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 764
Related reactions
2 records
Compound notes
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