trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium

C5H12F3N2O2S+ — CID 141239022

IUPACtrimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
SMILESC[N+](C)(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H12F3N2O2S/c1-10(2,3)4-9-13(11,12)5(6,7)8/h9H,4H2,1-3H3/q+1
InChIKeyBJGBPXPTWMNUDI-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.09
Rot. Bonds3

About trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium

trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium (PubChem CID 141239022) has the molecular formula C5H12F3N2O2S+ and a molecular weight of 221.22 g/mol. Its IUPAC name is trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
PubChem CID141239022
Molecular FormulaC5H12F3N2O2S+
Molecular Weight221.22 g/mol
Exact Mass221.06
IUPAC Nametrimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
SMILESC[N+](C)(C)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H12F3N2O2S/c1-10(2,3)4-9-13(11,12)5(6,7)8/h9H,4H2,1-3H3/q+1
InChIKeyBJGBPXPTWMNUDI-UHFFFAOYSA-N
XLogP0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide
CID 139049227
N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
CID 139431093
Trifluoromethanesulfinate;trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
CID 141239021
Ethyl-dimethyl-[(trifluoromethylsulfonylazaniumyl)methyl]azanium
CID 157046026
Ethyl-dimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
CID 157046027
N,N-dimethylmethanamine;trifluoromethanesulfonamide
CID 175061495

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium?
The IUPAC name of trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium (CID 141239022) is trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium.
What is the SMILES notation for trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium?
The canonical SMILES for trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium is C[N+](C)(C)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium?
The InChIKey is BJGBPXPTWMNUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3N2O2S/c1-10(2,3)4-9-13(11,12)5(6,7)8/h9H,4H2,1-3H3/q+1.
What are the key properties of trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium?
trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium has a molecular weight of 221.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium is sourced from PubChem (CID 141239022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).