2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone

C14H18F6N2O4S — CID 166199028

IUPAC2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CSCC(=O)N1CCOC(C(F)(F)F)C1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H18F6N2O4S/c15-13(16,17)9-5-21(1-3-25-9)11(23)7-27-8-12(24)22-2-4-26-10(6-22)14(18,19)20/h9-10H,1-8H2
InChIKeyUDNLWNAUSXATRP-UHFFFAOYSA-N
MW424.36 g/mol
LogP1.30
Rot. Bonds4

About 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone

2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 166199028) has the molecular formula C14H18F6N2O4S and a molecular weight of 424.36 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID166199028
Molecular FormulaC14H18F6N2O4S
Molecular Weight424.36 g/mol
Exact Mass424.09
IUPAC Name2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CSCC(=O)N1CCOC(C(F)(F)F)C1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H18F6N2O4S/c15-13(16,17)9-5-21(1-3-25-9)11(23)7-27-8-12(24)22-2-4-26-10(6-22)14(18,19)20/h9-10H,1-8H2
InChIKeyUDNLWNAUSXATRP-UHFFFAOYSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 51099485
2-[2-(Dimethylamino)ethylsulfanyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone
CID 167803951
4,4'-[Thiobis(1-oxo-3,1-propanediyl)]dimorpholine
CID 2179601
1-Morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 14367449
1-Morpholin-4-yl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpropan-1-one
CID 14367453
1-Morpholin-4-yl-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]sulfanylethanone
CID 48688630

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 166199028) is 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone is O=C(CSCC(=O)N1CCOC(C(F)(F)F)C1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is UDNLWNAUSXATRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N2O4S/c15-13(16,17)9-5-21(1-3-25-9)11(23)7-27-8-12(24)22-2-4-26-10(6-22)14(18,19)20/h9-10H,1-8H2.
What are the key properties of 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 424.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]sulfanyl-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 166199028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).