bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium

C6H12F6N2O4S2 — CID 141159440

IUPACbis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium
SMILESCCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H11N.C2F6NO4S2/c1-3-4-5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H,3-4H2,1-2H3;/q;-1/p+1
InChIKeyXQFPRPGWNVLBMF-UHFFFAOYSA-O
MW354.29 g/mol
LogP0.65
Rot. Bonds4

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

bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium (PubChem CID 141159440) has the molecular formula C6H12F6N2O4S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium
PubChem CID141159440
Molecular FormulaC6H12F6N2O4S2
Molecular Weight354.29 g/mol
Exact Mass354.01
IUPAC Namebis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium
SMILESCCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H11N.C2F6NO4S2/c1-3-4-5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H,3-4H2,1-2H3;/q;-1/p+1
InChIKeyXQFPRPGWNVLBMF-UHFFFAOYSA-O
XLogP0.65
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
CID 59046694
Triethylammonium bis(trifluoromethylsulfonyl)imide
CID 11014427
Methylpyrrolidinium bistriflimide
CID 87600687
Pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 129707856
N,N-diethyl-N-methylammonium bis(trifluoromethanesulfonyl)imide
CID 129856499
Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
Tripropylammonium bis(trifluoromethanesulfonyl)imide
CID 166451231
1,1,1-trifluoro-N-[3-(trifluoromethylsulfonylamino)propyl]methanesulfonamide
CID 11131552
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
1,1,2,2,3,3,4,4,4-nonafluoro-N-[3-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propyl]butane-1-sulfonamide
CID 87774189
Dimethyl(propyl)azanium;trifluoromethanesulfonate
CID 118647264
N-ethylethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659626

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium (CID 141159440) is bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium is CCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium?
The InChIKey is XQFPRPGWNVLBMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.C2F6NO4S2/c1-3-4-5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H,3-4H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium?
bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium has a molecular weight of 354.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;methyl(propyl)azanium is sourced from PubChem (CID 141159440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).