bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium

C8H14F6N2O5S2 — CID 140912345

IUPACbis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC[N+](C)(C)CC1CO1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H14NO.C2F6NO4S2/c1-7(2,3)4-6-5-8-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,4-5H2,1-3H3;/q+1;-1
InChIKeyJPWJTKTUGOHZKC-UHFFFAOYSA-N
MW396.33 g/mol
LogP1.15
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium

bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium (PubChem CID 140912345) has the molecular formula C8H14F6N2O5S2 and a molecular weight of 396.33 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
PubChem CID140912345
Molecular FormulaC8H14F6N2O5S2
Molecular Weight396.33 g/mol
Exact Mass396.02
IUPAC Namebis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium
SMILESC[N+](C)(C)CC1CO1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H14NO.C2F6NO4S2/c1-7(2,3)4-6-5-8-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,4-5H2,1-3H3;/q+1;-1
InChIKeyJPWJTKTUGOHZKC-UHFFFAOYSA-N
XLogP1.15
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium (CID 140912345) is bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium is C[N+](C)(C)CC1CO1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
The InChIKey is JPWJTKTUGOHZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.C2F6NO4S2/c1-7(2,3)4-6-5-8-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6H,4-5H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium has a molecular weight of 396.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;trimethyl(oxiran-2-ylmethyl)azanium is sourced from PubChem (CID 140912345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).