bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium

C7H14F6N2O4S2 — CID 141403817

IUPACbis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium
SMILESCCC[NH2+]CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H13N.C2F6NO4S2/c1-3-5-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,3-5H2,1-2H3;/q;-1/p+1
InChIKeyHPIOCVQLVPKXIO-UHFFFAOYSA-O
MW368.32 g/mol
LogP1.04
Rot. Bonds5

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

bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium (PubChem CID 141403817) has the molecular formula C7H14F6N2O4S2 and a molecular weight of 368.32 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium
PubChem CID141403817
Molecular FormulaC7H14F6N2O4S2
Molecular Weight368.32 g/mol
Exact Mass368.03
IUPAC Namebis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium
SMILESCCC[NH2+]CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H13N.C2F6NO4S2/c1-3-5-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,3-5H2,1-2H3;/q;-1/p+1
InChIKeyHPIOCVQLVPKXIO-UHFFFAOYSA-O
XLogP1.04
TPSA98.99 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 ≤ 51.04
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

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
N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 129858811
Dimethylpropylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716423
lithium;N-propylpropan-1-amine;trifluoromethanesulfonate
CID 139039585
1-Ethyl-1,5,9-triazoniacyclododecane;tris(trifluoromethanesulfonate)
CID 139182339
Tripropylammonium bis(trifluoromethanesulfonyl)imide
CID 166451231
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
Dipropylsulfamoyl(trifluoromethylsulfonyl)azanide
CID 59046693

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium (CID 141403817) is bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium is CCC[NH2+]CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium?
The InChIKey is HPIOCVQLVPKXIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13N.C2F6NO4S2/c1-3-5-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,3-5H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium?
bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium has a molecular weight of 368.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;ethyl(propyl)azanium is sourced from PubChem (CID 141403817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).