ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C7H15F6N2O4S2+ — CID 175259089

IUPACethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC[N+](C)(C)C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H14N.C2HF6NO4S2/c1-5-6(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H2,1-4H3;9H/q+1;
InChIKeyBJZQLJIQANJREC-UHFFFAOYSA-N
MW369.33 g/mol
LogP0.99
Rot. Bonds3

About ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 175259089) has the molecular formula C7H15F6N2O4S2+ and a molecular weight of 369.33 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID175259089
Molecular FormulaC7H15F6N2O4S2+
Molecular Weight369.33 g/mol
Exact Mass369.04
IUPAC Nameethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC[N+](C)(C)C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H14N.C2HF6NO4S2/c1-5-6(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H2,1-4H3;9H/q+1;
InChIKeyBJZQLJIQANJREC-UHFFFAOYSA-N
XLogP0.99
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
heptyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089549
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride
CID 161152479
5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 139465938
2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 72943323
1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172749871
2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
CID 123826601
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159351966

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 175259089) is ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CC[N+](C)(C)C.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is BJZQLJIQANJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N.C2HF6NO4S2/c1-5-6(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H2,1-4H3;9H/q+1;.
What are the key properties of ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 175259089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).