bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium

C9H18F6N2O5S2 — CID 87081346

IUPACbis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium
SMILESCC[N+](C)(C)CCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H18NO.C2F6NO4S2/c1-5-8(2,3)6-7-9-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
InChIKeyNGLLWWMHAWYWLY-UHFFFAOYSA-N
MW412.37 g/mol
LogP1.79
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium

bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium (PubChem CID 87081346) has the molecular formula C9H18F6N2O5S2 and a molecular weight of 412.37 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium
PubChem CID87081346
Molecular FormulaC9H18F6N2O5S2
Molecular Weight412.37 g/mol
Exact Mass412.06
IUPAC Namebis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium
SMILESCC[N+](C)(C)CCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H18NO.C2F6NO4S2/c1-5-8(2,3)6-7-9-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
InChIKeyNGLLWWMHAWYWLY-UHFFFAOYSA-N
XLogP1.79
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
CID 102441610
1-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
Ethyl(3-methoxypropyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 132274878
N-methoxyethyl-N-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 11247660
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
N,N-bis(2-methoxyethyl)-1,1,1-trifluoro-methanesulfonamide
CID 102441605
Ethyl(2-hydroxyethyl)-dimethylammonium bis(trifluoromethylsulfonyl)amide
CID 129707198
N,N-diethyl-N-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)amide
CID 129830240
N-methyl,ethyl-Morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 129830264
Bis(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide
CID 129846416
Triethyl(methoxymethyl)ammonium bis(trifluoromethylsulfonyl)imide
CID 131739080

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium (CID 87081346) is bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium is CC[N+](C)(C)CCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium?
The InChIKey is NGLLWWMHAWYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO.C2F6NO4S2/c1-5-8(2,3)6-7-9-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium?
bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium has a molecular weight of 412.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium is sourced from PubChem (CID 87081346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).