N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide

C10H18F3N2O4S+ — CID 20690179

IUPACN-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide
SMILESCC(=O)N(CC[N+]1(C)CCOCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3N2O4S/c1-9(16)14(20(17,18)10(11,12)13)3-4-15(2)5-7-19-8-6-15/h3-8H2,1-2H3/q+1
InChIKeyNRINWJLXXFPOSZ-UHFFFAOYSA-N
MW319.33 g/mol
LogP0.16
Rot. Bonds4

About N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide

N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 20690179) has the molecular formula C10H18F3N2O4S+ and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide
PubChem CID20690179
Molecular FormulaC10H18F3N2O4S+
Molecular Weight319.33 g/mol
Exact Mass319.09
IUPAC NameN-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide
SMILESCC(=O)N(CC[N+]1(C)CCOCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3N2O4S/c1-9(16)14(20(17,18)10(11,12)13)3-4-15(2)5-7-19-8-6-15/h3-8H2,1-2H3/q+1
InChIKeyNRINWJLXXFPOSZ-UHFFFAOYSA-N
XLogP0.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide (CID 20690179) is N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide is CC(=O)N(CC[N+]1(C)CCOCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is NRINWJLXXFPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N2O4S/c1-9(16)14(20(17,18)10(11,12)13)3-4-15(2)5-7-19-8-6-15/h3-8H2,1-2H3/q+1.
What are the key properties of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide?
N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 319.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 20690179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).