1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone

C14H18FNO3S2 — CID 66384669

IUPAC1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H18FNO3S2/c1-3-21(18,19)14-9-20-7-6-16(14)13-5-4-11(10(2)17)8-12(13)15/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyMGETWQHMYAVCQM-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.34
Rot. Bonds4

About 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone

1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone (PubChem CID 66384669) has the molecular formula C14H18FNO3S2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone
PubChem CID66384669
Molecular FormulaC14H18FNO3S2
Molecular Weight331.43 g/mol
Exact Mass331.07
IUPAC Name1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone
SMILESCCS(=O)(=O)C1CSCCN1c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H18FNO3S2/c1-3-21(18,19)14-9-20-7-6-16(14)13-5-4-11(10(2)17)8-12(13)15/h4-5,8,14H,3,6-7,9H2,1-2H3
InChIKeyMGETWQHMYAVCQM-UHFFFAOYSA-N
XLogP2.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 66377518
2-(3-ethylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66377379
3-fluoro-N'-hydroxy-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 77135830
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
3-fluoro-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 66384135
[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylphenyl]methanol
CID 66378089
[5-bromo-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 114889729
(1R)-1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 79035720
2-(3-ethylsulfonylthiomorpholin-4-yl)-5-methylbenzonitrile
CID 107927610
4-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)benzonitrile
CID 66376592
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258
1-[2-amino-4-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]ethanone
CID 104528988

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone (CID 66384669) is 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone is CCS(=O)(=O)C1CSCCN1c1ccc(C(C)=O)cc1F.
What is the InChIKey of 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone?
The InChIKey is MGETWQHMYAVCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S2/c1-3-21(18,19)14-9-20-7-6-16(14)13-5-4-11(10(2)17)8-12(13)15/h4-5,8,14H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone?
1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone has a molecular weight of 331.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylsulfonylthiomorpholin-4-yl)-3-fluorophenyl]ethanone is sourced from PubChem (CID 66384669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).