(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol

C14H20FNO3S2 — CID 79035720

IUPAC(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
SMILESCCS(=O)(=O)C1CSCCN1c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C14H20FNO3S2/c1-3-21(18,19)13-9-20-8-7-16(13)12-6-4-5-11(15)14(12)10(2)17/h4-6,10,13,17H,3,7-9H2,1-2H3/t10-,13?/m1/s1
InChIKeyNODVFJMIIOAYIH-VUUHIHSGSA-N
MW333.45 g/mol
LogP2.19
Rot. Bonds4

About (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol

(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol (PubChem CID 79035720) has the molecular formula C14H20FNO3S2 and a molecular weight of 333.45 g/mol. Its IUPAC name is (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
PubChem CID79035720
Molecular FormulaC14H20FNO3S2
Molecular Weight333.45 g/mol
Exact Mass333.09
IUPAC Name(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
SMILESCCS(=O)(=O)C1CSCCN1c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C14H20FNO3S2/c1-3-21(18,19)13-9-20-8-7-16(13)12-6-4-5-11(15)14(12)10(2)17/h4-6,10,13,17H,3,7-9H2,1-2H3/t10-,13?/m1/s1
InChIKeyNODVFJMIIOAYIH-VUUHIHSGSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanamine
CID 66376147
(1S)-1-[2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66383947
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66376534
2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone
CID 66384669
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 104874566
2-bromo-6-(3-ethylsulfonylthiomorpholin-4-yl)benzonitrile
CID 114881163
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 66377518
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol (CID 79035720) is (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol is CCS(=O)(=O)C1CSCCN1c1cccc(F)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
The InChIKey is NODVFJMIIOAYIH-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H20FNO3S2/c1-3-21(18,19)13-9-20-8-7-16(13)12-6-4-5-11(15)14(12)10(2)17/h4-6,10,13,17H,3,7-9H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol?
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol has a molecular weight of 333.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 79035720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).