2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone

C7H10F3NO3S2 — CID 66381932

IUPAC2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S2/c1-16(13,14)5-4-15-3-2-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyWLYNOGKZXOYJJE-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.49
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone

2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 66381932) has the molecular formula C7H10F3NO3S2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID66381932
Molecular FormulaC7H10F3NO3S2
Molecular Weight277.29 g/mol
Exact Mass277.01
IUPAC Name2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3S2/c1-16(13,14)5-4-15-3-2-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3
InChIKeyWLYNOGKZXOYJJE-UHFFFAOYSA-N
XLogP0.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Difluoro-2-oxo-2-thiomorpholin-4-ylethanesulfonic acid
CID 89037408
1-(1,1-Dioxidothiomorpholino)ethanone
CID 15939312
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2,2-trifluoroethanone
CID 63262345
2,2,2-Trifluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 63776491
1-(3-Ethylsulfonylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
CID 66375845
2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 78924935
2,2,2-Trifluoro-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]ethanone
CID 95753426
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2,2-difluoroethanone
CID 103515351
2,2-Difluoro-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 103515643
2,2-Difluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 103515792
1-(3-Ethylsulfonylthiomorpholin-4-yl)-2,2-difluoroethanone
CID 103515793
2,2-difluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 103515818

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone (CID 66381932) is 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone is CS(=O)(=O)C1CSCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is WLYNOGKZXOYJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3S2/c1-16(13,14)5-4-15-3-2-11(5)6(12)7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 277.29 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 66381932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).