methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate

C10H16F3NO2S — CID 104891377

IUPACmethyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-16-9(15)8-4-2-3-5-14(8)6-7-17-10(11,12)13/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyPZIKACIFKCYQEL-MRVPVSSYSA-N
MW271.30 g/mol
LogP2.27
Rot. Bonds4

About methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate (PubChem CID 104891377) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate
PubChem CID104891377
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Namemethyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-16-9(15)8-4-2-3-5-14(8)6-7-17-10(11,12)13/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyPZIKACIFKCYQEL-MRVPVSSYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate (CID 104891377) is methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CCSC(F)(F)F.
What is the InChIKey of methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate?
The InChIKey is PZIKACIFKCYQEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c1-16-9(15)8-4-2-3-5-14(8)6-7-17-10(11,12)13/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate has a molecular weight of 271.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 104891377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).