bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium

C7H15F6N3O4S2 — CID 139049227

IUPACbis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium
SMILESCN(C)C[NH+](C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H14N2.C2F6NO4S2/c1-6(2)5-7(3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H2,1-4H3;/q;-1/p+1
InChIKeyFWVYFEMUSDBUTB-UHFFFAOYSA-O
MW383.34 g/mol
LogP-0.29
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium

bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium (PubChem CID 139049227) has the molecular formula C7H15F6N3O4S2 and a molecular weight of 383.34 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium
PubChem CID139049227
Molecular FormulaC7H15F6N3O4S2
Molecular Weight383.34 g/mol
Exact Mass383.04
IUPAC Namebis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium
SMILESCN(C)C[NH+](C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H14N2.C2F6NO4S2/c1-6(2)5-7(3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H2,1-4H3;/q;-1/p+1
InChIKeyFWVYFEMUSDBUTB-UHFFFAOYSA-O
XLogP-0.29
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Dimethylammonium bis(trifluoromethylsulfonyl)imide
CID 129695776
Trimethylammonium bis(trifluoromethane sulfonyl)imide
CID 129773887
N,N-bis[(trifluoromethylsulfonyl)aminomethyl]-trifluoromethanesulfonamide
CID 129751024
N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
CID 139431093
Trifluoromethanesulfinate;trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
CID 141239021
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
Trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
CID 141239022

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium (CID 139049227) is bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium is CN(C)C[NH+](C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium?
The InChIKey is FWVYFEMUSDBUTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H14N2.C2F6NO4S2/c1-6(2)5-7(3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5H2,1-4H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium?
bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium has a molecular weight of 383.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;(dimethylamino)methyl-dimethylazanium is sourced from PubChem (CID 139049227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).