Basic information
- Standard SMILES
CC(C)(C)OC(=O)NS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC12CC2- InChIKey
GEMVLMNFKNRQJV-UHFFFAOYSA-N- Molecular formula
- C17H24N6O4S
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octan-8-yl]sulfonyl]carbamate
- IUPAC
- tert-butyl N-[[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]sulfonyl]carbamate
Names & synonyms
SCHEMBL12500415GEMVLMNFKNRQJV-UHFFFAOYSA-Ntert-butyl N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octan-8-yl]sulfonyl]carbamate
Database identifiers
- PubChem CID
- 68296038
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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