Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CCCS(C)(=O)=O)S(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC12CC2- InChIKey
LFWGRZMIQLTLEY-UHFFFAOYSA-N- Molecular formula
- C21H32N6O6S2
- Average molar mass
- 528.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-(3-methylsulfonylpropyl)-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octan-8-yl]sulfonyl]carbamate
- IUPAC
- tert-butyl N-(3-methylsulfonylpropyl)-N-[[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]sulfonyl]carbamate
Names & synonyms
SCHEMBL12500316LFWGRZMIQLTLEY-UHFFFAOYSA-Ntert-butyl N-(3-methylsulfonylpropyl)-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.5]octan-8-yl]sulfonyl]carbamate
Database identifiers
- PubChem CID
- 57410100
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 999
Related reactions
1 records
Compound notes
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