2-(5-Fluoro-pyrimidin-2-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
Basic information
- CAS
1353979-29-9- Standard SMILES
CC(C)(C)OC(=O)N1CCCCC1CSc1ncc(F)cn1- InChIKey
DWSQASCFAMTFCR-UHFFFAOYSA-N- Molecular formula
- C15H22FN3O2S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14167629
Names & identifiers
- Preferred name
- 2-(5-Fluoro-pyrimidin-2-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[(5-fluoropyrimidin-2-yl)sulfanylmethyl]piperidine-1-carboxylate
Names & synonyms
1353979-29-92-(5-Fluoro-pyrimidin-2-ylsulfanylmethyl)-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 2-[[(5-fluoro-2-pyrimidinyl)thio]methyl]-, 1,1-dimethylethyl esterDTXSID501117277DB-250664tert-butyl 2-(((5-fluoropyrimidin-2-yl)thio)methyl)piperidine-1-carboxylatetert-butyl 2-[(5-fluoropyrimidin-2-yl)sulfanylmethyl]piperidine-1-carboxylateTERT-BUTYL 2-{[(5-FLUOROPYRIMIDIN-2-YL)SULFANYL]METHYL}PIPERIDINE-1-CARBOXYLATE
Database identifiers
- CAS
1353979-29-9- PubChem CID
- 71302243
- DTXSID
DTXSID501117277
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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