Basic information
- Standard SMILES
CSCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
KIRMNFFNLWENFV-UHFFFAOYSA-N- Molecular formula
- C12H23NO2S
- Average molar mass
- 245.38 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-((methylthio)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
Names & synonyms
597563-38-7tert-Butyl 4-((methylthio)methyl)piperidine-1-carboxylatetert-butyl 4-[(methylsulfanyl)methyl]piperidine-1-carboxylateSCHEMBL1905269KIRMNFFNLWENFV-UHFFFAOYSA-Ntert-Butyl4-((methylthio)methyl)piperidine-1-carboxylate4-methylsulfanylmethyl-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 21087276
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
2 records
Compound notes
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