N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

C9H17F3N2O2S — CID 116615755

IUPACN-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCOCCNC(=O)CCNCCSC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-16-6-4-14-8(15)2-3-13-5-7-17-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyJPJUIYGGRILUEW-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.98
Rot. Bonds9

About N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide

N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (PubChem CID 116615755) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
PubChem CID116615755
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
SMILESCOCCNC(=O)CCNCCSC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-16-6-4-14-8(15)2-3-13-5-7-17-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyJPJUIYGGRILUEW-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.98
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 N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide (CID 116615755) is N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is COCCNC(=O)CCNCCSC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
The InChIKey is JPJUIYGGRILUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-16-6-4-14-8(15)2-3-13-5-7-17-9(10,11)12/h13H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide?
N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide has a molecular weight of 274.31 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-(trifluoromethylsulfanyl)ethylamino]propanamide is sourced from PubChem (CID 116615755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).