bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium

C14H28F12N4O8S4 — CID 162454072

IUPACbis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium
SMILESCCCC[NH2+]C.CCCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C5H13N.2C2F6NO4S2/c2*1-3-4-5-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2*6H,3-5H2,1-2H3;;/q;;2*-1/p+2
InChIKeySAQNNLLXKGQGHJ-UHFFFAOYSA-P
MW736.64 g/mol
LogP2.08
Rot. Bonds10

About bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium

bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium (PubChem CID 162454072) has the molecular formula C14H28F12N4O8S4 and a molecular weight of 736.64 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium.

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium
PubChem CID162454072
Molecular FormulaC14H28F12N4O8S4
Molecular Weight736.64 g/mol
Exact Mass736.06
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium
SMILESCCCC[NH2+]C.CCCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C5H13N.2C2F6NO4S2/c2*1-3-4-5-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2*6H,3-5H2,1-2H3;;/q;;2*-1/p+2
InChIKeySAQNNLLXKGQGHJ-UHFFFAOYSA-P
XLogP2.08
TPSA197.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(9-Aza-1,5-diazoniacyclododec-1-yl)butyl]-9-aza-1,5-diazoniacyclododecane;tetrakis(trifluoromethanesulfonate)
CID 139165489
1-Ethyl-1,5,9-triazoniacyclododecane;tris(trifluoromethanesulfonate)
CID 139182339
Tripropylammonium bis(trifluoromethanesulfonyl)imide
CID 166451231
Bis(bis(trifluoromethylsulfonyl)azanide);3-(1-methylpyrrolidin-1-ium-1-yl)propylazanium
CID 168340533
N-butyl-N'-[butylsulfamoyl(difluoro)methyl]sulfonyl-1,1-difluoromethanedisulfonamide
CID 90329014
1,1,2,2,3,3-hexafluoro-N-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propyl]sulfonylamino]ethylamino]ethyl]-N'-methylpropane-1,3-disulfonamide
CID 117767436
N-butyl-N'-[butylsulfamoyl(difluoro)methyl]sulfinyl-1,1-difluoromethanedisulfonamide
CID 123312411
Bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)
CID 139924468
Bis(trifluoromethylsulfonyl)azanide;dipropylazanium
CID 141081545
Bis(trifluoromethylsulfonyl)azanide;methyl(pentyl)azanium
CID 141091348
Bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium
CID 141091350
Bis(trifluoromethylsulfonyl)azanide;ethyl-methyl-propylazanium
CID 141091351

Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium (CID 162454072) is bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium.
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium is CCCC[NH2+]C.CCCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium?
The InChIKey is SAQNNLLXKGQGHJ-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H13N.2C2F6NO4S2/c2*1-3-4-5-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2*6H,3-5H2,1-2H3;;/q;;2*-1/p+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium?
bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium has a molecular weight of 736.64 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);butyl(methyl)azanium is sourced from PubChem (CID 162454072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).