(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol

C14H20FNOS — CID 104874566

IUPAC(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
SMILESCC1SCCN(c2cccc(F)c2[C@H](C)O)C1C
InChIInChI=1S/C14H20FNOS/c1-9-11(3)18-8-7-16(9)13-6-4-5-12(15)14(13)10(2)17/h4-6,9-11,17H,7-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyGLJCCVXAHCRTFF-YVNMAJEFSA-N
MW269.38 g/mol
LogP3.21
Rot. Bonds2

About (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol (PubChem CID 104874566) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
PubChem CID104874566
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
SMILESCC1SCCN(c2cccc(F)c2[C@H](C)O)C1C
InChIInChI=1S/C14H20FNOS/c1-9-11(3)18-8-7-16(9)13-6-4-5-12(15)14(13)10(2)17/h4-6,9-11,17H,7-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyGLJCCVXAHCRTFF-YVNMAJEFSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol (CID 104874566) is (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol is CC1SCCN(c2cccc(F)c2[C@H](C)O)C1C.
What is the InChIKey of (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
The InChIKey is GLJCCVXAHCRTFF-YVNMAJEFSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-9-11(3)18-8-7-16(9)13-6-4-5-12(15)14(13)10(2)17/h4-6,9-11,17H,7-8H2,1-3H3/t9?,10-,11?/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol has a molecular weight of 269.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 104874566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).