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

C10H17F3N2O2S — CID 116615752

IUPAC1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
SMILESCC(NCCSC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C10H17F3N2O2S/c1-8(14-2-7-18-10(11,12)13)9(16)15-3-5-17-6-4-15/h8,14H,2-7H2,1H3
InChIKeyMSGZYNPAZDKQDK-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.08
Rot. Bonds5

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

1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one (PubChem CID 116615752) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
PubChem CID116615752
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
SMILESCC(NCCSC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C10H17F3N2O2S/c1-8(14-2-7-18-10(11,12)13)9(16)15-3-5-17-6-4-15/h8,14H,2-7H2,1H3
InChIKeyMSGZYNPAZDKQDK-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
3-(Morpholine-4-carbonyl)-1,4-thiazepan-5-one
CID 71798001
N-(2-sulfanylethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 177680511
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
2-(propan-2-ylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948883
2-(propan-2-ylamino)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948884
1-Morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089166
3,3,3-trifluoro-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 51080945
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53532056
2-[(4-methylmorpholin-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53573501
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53609791

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one (CID 116615752) is 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one is CC(NCCSC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
The InChIKey is MSGZYNPAZDKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-8(14-2-7-18-10(11,12)13)9(16)15-3-5-17-6-4-15/h8,14H,2-7H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one?
1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one has a molecular weight of 286.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one is sourced from PubChem (CID 116615752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).