(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C17H17F3N2O4S — CID 171556783

IUPAC(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1CSc1ccccn1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-4-3-5-13(22-12)26-10-8-25-11(16(24)15(10)23)9-27-14-6-1-2-7-21-14/h1-7,10-11,15-16,23-24H,8-9H2/t10-,11+,15+,16-/m0/s1
InChIKeyIDOHEVPJZCPCRS-TZCMFKBTSA-N
MW402.39 g/mol
LogP2.16
Rot. Bonds5

About (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171556783) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171556783
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1CSc1ccccn1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-4-3-5-13(22-12)26-10-8-25-11(16(24)15(10)23)9-27-14-6-1-2-7-21-14/h1-7,10-11,15-16,23-24H,8-9H2/t10-,11+,15+,16-/m0/s1
InChIKeyIDOHEVPJZCPCRS-TZCMFKBTSA-N
XLogP2.16
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-2-ol
CID 2809220
(2R,3R,4S,5S)-2-[6-(trifluoromethyl)pyridin-3-yl]oxythiane-3,4,5-triol
CID 11209122
(2S,3R,4S,5S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]thiane-3,4,5-triol
CID 67233394
(2R,3R,4R,5S)-4-pyridin-2-yloxy-5-[4-(trifluoromethyl)phenoxy]thiane-2,3-diol
CID 69385441
(2S,3R,4S,5S)-2-(benzenesulfonylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556828
(2R,3R,4S,5R,6R)-2-methyl-6-(2-pyridin-4-ylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557219
(2R,3R,4S,5S)-2-(pyridin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557341
(2S,3R,4S,5S)-2-(benzenesulfinylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557621
(2R,3R,4S,5S)-2-(pyridin-4-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557783
(2S,3R,4S,5S)-5-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-yl]oxy-2-(phenylsulfanylmethyl)oxane-3,4-diol
CID 171557807
(2S,3R,4S,5R)-5-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxy]-4-(hydroxymethyl)-2-(phenylsulfanylmethyl)oxan-3-ol
CID 171557953
(2S,3R,4S,5S)-5-[[6-(1,1-difluoroethyl)-2-pyridinyl]oxy]-2-(pyridin-2-ylsulfanylmethyl)oxane-3,4-diol
CID 171558310

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171556783) is (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1CSc1ccccn1.
What is the InChIKey of (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is IDOHEVPJZCPCRS-TZCMFKBTSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)12-4-3-5-13(22-12)26-10-8-25-11(16(24)15(10)23)9-27-14-6-1-2-7-21-14/h1-7,10-11,15-16,23-24H,8-9H2/t10-,11+,15+,16-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 402.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-(pyridin-2-ylsulfanylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171556783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).