bis(trifluoromethylsulfonyl)azanide;pentylazanium

C7H14F6N2O4S2 — CID 141148405

IUPACbis(trifluoromethylsulfonyl)azanide;pentylazanium
SMILESCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H13N.C2F6NO4S2/c1-2-3-4-5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-6H2,1H3;/q;-1/p+1
InChIKeyYBURBTHMKHJXIY-UHFFFAOYSA-O
MW368.32 g/mol
LogP1.48
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;pentylazanium

bis(trifluoromethylsulfonyl)azanide;pentylazanium (PubChem CID 141148405) has the molecular formula C7H14F6N2O4S2 and a molecular weight of 368.32 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;pentylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;pentylazanium
PubChem CID141148405
Molecular FormulaC7H14F6N2O4S2
Molecular Weight368.32 g/mol
Exact Mass368.03
IUPAC Namebis(trifluoromethylsulfonyl)azanide;pentylazanium
SMILESCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H13N.C2F6NO4S2/c1-2-3-4-5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-6H2,1H3;/q;-1/p+1
InChIKeyYBURBTHMKHJXIY-UHFFFAOYSA-O
XLogP1.48
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
1,1,1-trifluoro-N-[3-(trifluoromethylsulfonylamino)propyl]methanesulfonamide
CID 11131552
1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane
CID 20705388
1,1,1-trifluoro-N-pentylmethanesulfonamide
CID 58427682
azane;N-butyl-1,1,1-trifluoromethanesulfonamide
CID 88214043
Butylsulfamoyl(difluoro)methanesulfonic acid
CID 88487526
1,1-difluoro-N-pentylmethanesulfonamide
CID 88766737
N-butyl-1,1-difluoro-1-(trifluoromethylsulfonylmethylsulfonyl)methanesulfonamide
CID 90329011
N-butyl-N'-[butylsulfamoyl(difluoro)methyl]sulfonyl-1,1-difluoromethanedisulfonamide
CID 90329014
N-butyl-1,1,2,2,3,3-hexafluoro-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 90329062
1,1,2,2,3,3-Hexafluoro-3-(pentylsulfamoyl)propane-1-sulfonic acid
CID 117807351

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;pentylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;pentylazanium (CID 141148405) is bis(trifluoromethylsulfonyl)azanide;pentylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;pentylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;pentylazanium is CCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;pentylazanium?
The InChIKey is YBURBTHMKHJXIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N.C2F6NO4S2/c1-2-3-4-5-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-6H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;pentylazanium?
bis(trifluoromethylsulfonyl)azanide;pentylazanium has a molecular weight of 368.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;pentylazanium is sourced from PubChem (CID 141148405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).