Basic information
- Standard SMILES
C[C@H]1C[C@@H](c2ccncc2N)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1OCCS(C)(=O)=O- InChIKey
FFGIFMWKPJOWBK-JFTQMJAMSA-N- Molecular formula
- C20H33N3O5S
- Average molar mass
- 427.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl ((1R,2S,3S,5R)-5-(3-aminopyridin-4-yl)-3-methyl-2-(2-(methylsulfonyl)ethoxy)cyclohexyl)carbamate
- IUPAC
- tert-butyl N-[(1R,2S,3S,5R)-5-(3-amino-4-pyridinyl)-3-methyl-2-(2-methylsulfonylethoxy)cyclohexyl]carbamate
Names & synonyms
SCHEMBL15588721FFGIFMWKPJOWBK-JFTQMJAMSA-N(+/-)-tert-butyl (1R,2S,3S,5R)-5-(3-aminopyridin-4-yl)-3-methyl-2-(2-(methylsulfonyl)ethoxy)cyclohexylcarbamatetert-butyl ((1R,2S,3S,5R)-5-(3-aminopyridin-4-yl)-3-methyl-2-(2-(methylsulfonyl)ethoxy)cyclohexyl)carbamate
Database identifiers
- PubChem CID
- 86705263
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 643
Related reactions
4 records
Compound notes
Loading…