Basic information
- Standard SMILES
CC(C)(C#N)CN1C(=O)C2(OCCCO2)c2cc(S(=O)(=O)N3CCCC3)ccc21- InChIKey
PPGSRFRSZKIGQM-UHFFFAOYSA-N- Molecular formula
- C20H25N3O5S
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- 2,2-dimethyl-3-[2'-oxo-5'-(pyrrolidin-1-ylsulfonyl)spiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl]propanenitrile
- IUPAC
- 2,2-dimethyl-3-(2'-oxo-5'-pyrrolidin-1-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-1'-yl)propanenitrile
Names & synonyms
SCHEMBL5336015PPGSRFRSZKIGQM-UHFFFAOYSA-N2,2-dimethyl-3-[2'-oxo-5'-(pyrrolidin-1-ylsulfonyl)spiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl]propanenitrile
Database identifiers
- PubChem CID
- 58932575
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 800
Related reactions
3 records
Compound notes
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