Basic information
- Standard SMILES
Cc1noc(C)c1S(=O)(=O)N1CCC2(CCNC2=O)CC1- InChIKey
IQIKGHZVCMFRNI-UHFFFAOYSA-N- Molecular formula
- C13H19N3O4S
- Average molar mass
- 313.37 g/mol
Names & identifiers
- Preferred name
- 8-(3,5-Dimethyl-isoxazole-4-sulfonyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
SCHEMBL745244IQIKGHZVCMFRNI-UHFFFAOYSA-N8-(3,5-dimethyl-isoxazole-4-sulfonyl)-2,8-diaza-spiro[4.5]decan-1-one
Database identifiers
- PubChem CID
- 59577900
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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