2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C9H15F3N2O2S — CID 103809182

IUPAC2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESO=C(CC1CNCCO1)NCCSC(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)17-4-2-14-8(15)5-7-6-13-1-3-16-7/h7,13H,1-6H2,(H,14,15)
InChIKeyUYRZKTQCNNMXHV-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.73
Rot. Bonds5

About 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 103809182) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID103809182
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC Name2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESO=C(CC1CNCCO1)NCCSC(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c10-9(11,12)17-4-2-14-8(15)5-7-6-13-1-3-16-7/h7,13H,1-6H2,(H,14,15)
InChIKeyUYRZKTQCNNMXHV-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 103809182) is 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is O=C(CC1CNCCO1)NCCSC(F)(F)F.
What is the InChIKey of 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is UYRZKTQCNNMXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S/c10-9(11,12)17-4-2-14-8(15)5-7-6-13-1-3-16-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 272.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103809182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).