1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one

C10H17F3N2O2S — CID 116615757

IUPAC1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
SMILESO=C(CCNCCSC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18-8-3-14-2-1-9(16)15-4-6-17-7-5-15/h14H,1-8H2
InChIKeyHEHXJZGZZAEVJT-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.08
Rot. Bonds6

About 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one

1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one (PubChem CID 116615757) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
PubChem CID116615757
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
SMILESO=C(CCNCCSC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18-8-3-14-2-1-9(16)15-4-6-17-7-5-15/h14H,1-8H2
InChIKeyHEHXJZGZZAEVJT-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103033572
1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
CID 115586570
3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113411282
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
methyl 2-bromo-3-[(3-morpholin-4-yl-3-oxopropyl)amino]propanoate
CID 103263000
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one (CID 116615757) is 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one is O=C(CCNCCSC(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
The InChIKey is HEHXJZGZZAEVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)18-8-3-14-2-1-9(16)15-4-6-17-7-5-15/h14H,1-8H2.
What are the key properties of 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one has a molecular weight of 286.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one is sourced from PubChem (CID 116615757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).