Basic information
- Standard SMILES
CC(C)(C)c1cc(N2CCC(C)(S(=O)(=O)C3CCOCC3)C2=O)on1- InChIKey
NGWSCYIGSYUCGX-UHFFFAOYSA-N- Molecular formula
- C17H26N2O5S
- Average molar mass
- 370.5 g/mol
Names & identifiers
- Preferred name
- 1-(3-tert-Butyl-isoxazol-5-yl)-3-methyl-3-(tetrahydro-pyran-4-sulfonyl)-pyrrolidin-2-one
- IUPAC
- 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methyl-3-(oxan-4-ylsulfonyl)pyrrolidin-2-one
Names & synonyms
SCHEMBL1785664NGWSCYIGSYUCGX-UHFFFAOYSA-N1-(3-tert-Butyl-isoxazol-5-yl)-3-methyl-3-(tetrahydro-pyran-4-sulfonyl)-pyrrolidin-2-one
Database identifiers
- PubChem CID
- 44609907
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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