[4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol

C14H20FNO2S — CID 81219707

IUPAC[4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCSc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-11-10-18-13(9-17)8-16(11)6-7-19-14-4-2-12(15)3-5-14/h2-5,11,13,17H,6-10H2,1H3
InChIKeyHZYFIGVFBHJEBQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.00
Rot. Bonds5

About [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol

[4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81219707) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81219707
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name[4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCSc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-11-10-18-13(9-17)8-16(11)6-7-19-14-4-2-12(15)3-5-14/h2-5,11,13,17H,6-10H2,1H3
InChIKeyHZYFIGVFBHJEBQ-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-{2-[2-(phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2992886
2-(2,6-Dimethyl-4-morpholinyl)ethyl 2-(phenylsulfanyl)ethyl ether
CID 2992887
1-(2-Fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
CID 54355213
(2R,3R,4R,6R)-4-[1-fluoroethyl-(methyldiazenyl)amino]-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-ol
CID 138577361
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993240
2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993626
1-[Cyclohexyl-[2-(2-fluorophenyl)sulfanylethyl]amino]propan-2-ol
CID 60260459
1-(2,5-Dimethylmorpholin-4-yl)-3-(4-fluorophenyl)sulfanylpropan-1-one
CID 60432293
1-[2-(2-Fluorophenyl)sulfanylethyl]piperidin-3-ol
CID 60669594
1-[2-(4-Fluorophenyl)sulfanylethyl]piperidin-3-ol
CID 60669595
1-[2-(2-Fluorophenyl)sulfanylethyl]piperidin-4-ol
CID 60670251
1-[2-(4-Fluorophenyl)sulfanylethyl]piperidin-4-ol
CID 60670279

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol (CID 81219707) is [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CCSc1ccc(F)cc1.
What is the InChIKey of [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is HZYFIGVFBHJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11-10-18-13(9-17)8-16(11)6-7-19-14-4-2-12(15)3-5-14/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 285.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).