bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium

C6H16F2N2O5S2 — CID 131742279

IUPACbis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC[N+](C)(C)CCO.O=S(=O)(F)[N-]S(=O)(=O)F
InChIInChI=1S/C6H16NO.F2NO4S2/c1-4-7(2,3)5-6-8;1-8(4,5)3-9(2,6)7/h8H,4-6H2,1-3H3;/q+1;-1
InChIKeyVLLWJRVMQPTKSE-UHFFFAOYSA-N
MW298.33 g/mol
LogP-0.14
Rot. Bonds5

About bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium

bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 131742279) has the molecular formula C6H16F2N2O5S2 and a molecular weight of 298.33 g/mol. Its IUPAC name is bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Namebis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID131742279
Molecular FormulaC6H16F2N2O5S2
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Namebis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC[N+](C)(C)CCO.O=S(=O)(F)[N-]S(=O)(=O)F
InChIInChI=1S/C6H16NO.F2NO4S2/c1-4-7(2,3)5-6-8;1-8(4,5)3-9(2,6)7/h8H,4-6H2,1-3H3;/q+1;-1
InChIKeyVLLWJRVMQPTKSE-UHFFFAOYSA-N
XLogP-0.14
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
CID 22486480
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
bromomethyl-(2-hydroxyethyl)-dimethylazanium bromide
CID 14859571
bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate
CID 160948153
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332
tris(2-hydroxyethyl)-methylazanium tetrafluoroborate
CID 18442246
ethyl-dimethyl-(4-oxopentyl)azanium
CID 88869769
ethyl-(hydroxymethyl)-dimethylazanium;ethyl(trimethyl)azanium;2-hydroxyethyl-(hydroxymethyl)-dimethylazanium;2-hydroxyethyl(trimethyl)azanium;bis(hydroxymethyl(trimethyl)azanium);methane;tetramethylazanium
CID 160968365

Frequently Asked Questions

What is the IUPAC name of bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium (CID 131742279) is bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium is CC[N+](C)(C)CCO.O=S(=O)(F)[N-]S(=O)(=O)F.
What is the InChIKey of bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is VLLWJRVMQPTKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.F2NO4S2/c1-4-7(2,3)5-6-8;1-8(4,5)3-9(2,6)7/h8H,4-6H2,1-3H3;/q+1;-1.
What are the key properties of bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium?
bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 298.33 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(fluorosulfonyl)azanide;ethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 131742279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).