bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium

C5H10F6N2O4S2 — CID 141281438

IUPACbis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium
SMILESCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H9N.C2F6NO4S2/c1-3-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4H,3H2,1-2H3;/q;-1/p+1
InChIKeyJXAWSYIVYVVGNU-UHFFFAOYSA-O
MW340.27 g/mol
LogP0.26
Rot. Bonds3

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

bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium (PubChem CID 141281438) has the molecular formula C5H10F6N2O4S2 and a molecular weight of 340.27 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium
PubChem CID141281438
Molecular FormulaC5H10F6N2O4S2
Molecular Weight340.27 g/mol
Exact Mass340.00
IUPAC Namebis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium
SMILESCC[NH2+]C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H9N.C2F6NO4S2/c1-3-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4H,3H2,1-2H3;/q;-1/p+1
InChIKeyJXAWSYIVYVVGNU-UHFFFAOYSA-O
XLogP0.26
TPSA98.99 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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium (CID 141281438) is bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium is CC[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;ethyl(methyl)azanium?
The InChIKey is JXAWSYIVYVVGNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.C2F6NO4S2/c1-3-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4H,3H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium?
bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium has a molecular weight of 340.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;ethyl(methyl)azanium is sourced from PubChem (CID 141281438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).