(3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol

C8H14F3NOS — CID 107226052

IUPAC(3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(13)6-12/h7,13H,1-6H2/t7-/m0/s1
InChIKeyUAEQTLGYMIAONS-ZETCQYMHSA-N
MW229.27 g/mol
LogP1.70
Rot. Bonds3

About (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol

(3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol (PubChem CID 107226052) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
PubChem CID107226052
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name(3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(13)6-12/h7,13H,1-6H2/t7-/m0/s1
InChIKeyUAEQTLGYMIAONS-ZETCQYMHSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol (CID 107226052) is (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol is O[C@H]1CCCN(CCSC(F)(F)F)C1.
What is the InChIKey of (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
The InChIKey is UAEQTLGYMIAONS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NOS/c9-8(10,11)14-5-4-12-3-1-2-7(13)6-12/h7,13H,1-6H2/t7-/m0/s1.
What are the key properties of (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol?
(3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol has a molecular weight of 229.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol is sourced from PubChem (CID 107226052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).