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

C14H20FNO2S — CID 81214179

IUPAC[4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-11-10-18-12(9-17)8-16(11)6-7-19-14-5-3-2-4-13(14)15/h2-5,11-12,17H,6-10H2,1H3
InChIKeyYXTCCJKWGRBGQY-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.00
Rot. Bonds5

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

[4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81214179) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81214179
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name[4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-11-10-18-12(9-17)8-16(11)6-7-19-14-5-3-2-4-13(14)15/h2-5,11-12,17H,6-10H2,1H3
InChIKeyYXTCCJKWGRBGQY-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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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol (CID 81214179) is [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CCSc1ccccc1F.
What is the InChIKey of [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is YXTCCJKWGRBGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-11-10-18-12(9-17)8-16(11)6-7-19-14-5-3-2-4-13(14)15/h2-5,11-12,17H,6-10H2,1H3.
What are the key properties of [4-[2-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-(2-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-(2-fluorophenyl)sulfanylethyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81214179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).