bis(trifluoromethylsulfonyl)azanide;propylazanium

C5H10F6N2O4S2 — CID 141091349

IUPACbis(trifluoromethylsulfonyl)azanide;propylazanium
SMILESCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H9N.C2F6NO4S2/c1-2-3-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H2,1H3;/q;-1/p+1
InChIKeyLCTJCOTZQZXAOO-UHFFFAOYSA-O
MW340.27 g/mol
LogP0.70
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;propylazanium

bis(trifluoromethylsulfonyl)azanide;propylazanium (PubChem CID 141091349) has the molecular formula C5H10F6N2O4S2 and a molecular weight of 340.27 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;propylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;propylazanium
PubChem CID141091349
Molecular FormulaC5H10F6N2O4S2
Molecular Weight340.27 g/mol
Exact Mass340.00
IUPAC Namebis(trifluoromethylsulfonyl)azanide;propylazanium
SMILESCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H9N.C2F6NO4S2/c1-2-3-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H2,1H3;/q;-1/p+1
InChIKeyLCTJCOTZQZXAOO-UHFFFAOYSA-O
XLogP0.70
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
N,N-diethyl-N-methylammonium bis(trifluoromethanesulfonyl)imide
CID 129856499
1,1,1-trifluoro-N-[3-(trifluoromethylsulfonylamino)propyl]methanesulfonamide
CID 11131552
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
1-[[S-hydroxy-N-(trifluoromethylsulfonyl)sulfonimidoyl]amino]propane
CID 20705388
Propylazanium;trifluoromethanesulfonate
CID 21654999
N-propylperfluorobutanesulfonamide
CID 22169334
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
CID 58173846
N,N'-Ethylenebis(trifluoromethanesulfonamide)
CID 58173847

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;propylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;propylazanium (CID 141091349) is bis(trifluoromethylsulfonyl)azanide;propylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;propylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;propylazanium is CCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;propylazanium?
The InChIKey is LCTJCOTZQZXAOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.C2F6NO4S2/c1-2-3-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;propylazanium?
bis(trifluoromethylsulfonyl)azanide;propylazanium has a molecular weight of 340.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;propylazanium is sourced from PubChem (CID 141091349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).