N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium

C4H11F3N2O5S2 — CID 139431093

IUPACN-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
SMILESC[NH+](C)C.O=S(=O)([O-])NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H9N.CH2F3NO5S2/c1-4(2)3;2-1(3,4)11(6,7)5-12(8,9)10/h1-3H3;5H,(H,8,9,10)
InChIKeyAKKOEUUXMPLKIE-UHFFFAOYSA-N
MW288.27 g/mol
LogP-2.35
Rot. Bonds2

About N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium

N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium (PubChem CID 139431093) has the molecular formula C4H11F3N2O5S2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
PubChem CID139431093
Molecular FormulaC4H11F3N2O5S2
Molecular Weight288.27 g/mol
Exact Mass288.01
IUPAC NameN-(trifluoromethylsulfonyl)sulfamate;trimethylazanium
SMILESC[NH+](C)C.O=S(=O)([O-])NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H9N.CH2F3NO5S2/c1-4(2)3;2-1(3,4)11(6,7)5-12(8,9)10/h1-3H3;5H,(H,8,9,10)
InChIKeyAKKOEUUXMPLKIE-UHFFFAOYSA-N
XLogP-2.35
TPSA107.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-2.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Trimethylammonium triflate
CID 21940349
Dimethylammonium bis(trifluoromethylsulfonyl)imide
CID 129695776
Trimethylammonium bis(trifluoromethane sulfonyl)imide
CID 129773887
[(Dimethylamino)methyl]dimethylazanium bis(trifluoromethanesulfonyl)amide
CID 139049227
N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)
CID 87669612
N,N-dimethylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 92003834
N,N-dimethylmethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659645
tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659677
N-methylmethanamine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659705
Trifluoromethanesulfinate;trimethyl-[(trifluoromethylsulfonylamino)methyl]azanium
CID 141239021
Bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dimethylazanium
CID 141392550
Bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;trimethylazanium
CID 141425026

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium?
The IUPAC name of N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium (CID 139431093) is N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium.
What is the SMILES notation for N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium?
The canonical SMILES for N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium is C[NH+](C)C.O=S(=O)([O-])NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium?
The InChIKey is AKKOEUUXMPLKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH2F3NO5S2/c1-4(2)3;2-1(3,4)11(6,7)5-12(8,9)10/h1-3H3;5H,(H,8,9,10).
What are the key properties of N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium?
N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium has a molecular weight of 288.27 g/mol, XLogP of -2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)sulfamate;trimethylazanium is sourced from PubChem (CID 139431093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).