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

C14H18F3NO4S — CID 178008059

IUPAC(2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESCSCC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H18F3NO4S/c1-23-6-5-8-12(19)13(20)9(7-21-8)22-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12-13,19-20H,5-7H2,1H3/t8-,9+,12+,13-/m1/s1
InChIKeyOECIEDNSIFDPDV-FIDNZITISA-N
MW353.36 g/mol
LogP1.72
Rot. Bonds5

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

(2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 178008059) has the molecular formula C14H18F3NO4S and a molecular weight of 353.36 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID178008059
Molecular FormulaC14H18F3NO4S
Molecular Weight353.36 g/mol
Exact Mass353.09
IUPAC Name(2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESCSCC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H18F3NO4S/c1-23-6-5-8-12(19)13(20)9(7-21-8)22-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12-13,19-20H,5-7H2,1H3/t8-,9+,12+,13-/m1/s1
InChIKeyOECIEDNSIFDPDV-FIDNZITISA-N
XLogP1.72
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-(2-Aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
CID 2809221
2-[(6-Ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol
CID 75503038
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
6-Phenoxy-alpha-(trifluoromethyl)-2-pyridinemethanol
CID 15592688
(1R)-2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethanol
CID 15592689
(S)-(+)-6-Phenoxy-alpha-trifluoromethyl-2-pyridinemethanol
CID 15592690
8-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]octan-1-ol
CID 18946528
(2R,3R,4S,5S)-2-[(2-fluoro-6-methyl-3-pyridinyl)oxy]thiane-3,4,5-triol
CID 67233142
(2S,3R,4S,5S)-2-[(2-fluoro-6-methyl-3-pyridinyl)oxy]thiane-3,4,5-triol
CID 67233144
3-(6-Tert-butylpyridin-2-yl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol
CID 124085234
1,1,1,3,3,3-Hexafluoro-2-[(6-methylpyridin-2-yl)oxymethyl]propan-2-ol
CID 124085516
1,1,1-Trifluoro-2-methyl-3-[(6-methyl-2-pyridinyl)oxy]propan-2-ol
CID 124087880

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 178008059) is (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is CSCC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is OECIEDNSIFDPDV-FIDNZITISA-N. The full InChI is InChI=1S/C14H18F3NO4S/c1-23-6-5-8-12(19)13(20)9(7-21-8)22-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12-13,19-20H,5-7H2,1H3/t8-,9+,12+,13-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 353.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(2-methylsulfanylethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 178008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).