butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride

C7H19F2N2O4S2+ — CID 174816119

IUPACbutyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride
SMILESCCCC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)F
InChIInChI=1S/C7H18N.F2HNO4S2/c1-5-6-7-8(2,3)4;1-8(4,5)3-9(2,6)7/h5-7H2,1-4H3;3H/q+1;
InChIKeyGDJCQAQNBVDIQA-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.50
Rot. Bonds5

About butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride

butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride (PubChem CID 174816119) has the molecular formula C7H19F2N2O4S2+ and a molecular weight of 297.37 g/mol. Its IUPAC name is butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride.

Molecular Properties

Compound Namebutyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride
PubChem CID174816119
Molecular FormulaC7H19F2N2O4S2+
Molecular Weight297.37 g/mol
Exact Mass297.07
IUPAC Namebutyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride
SMILESCCCC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)F
InChIInChI=1S/C7H18N.F2HNO4S2/c1-5-6-7-8(2,3)4;1-8(4,5)3-9(2,6)7/h5-7H2,1-4H3;3H/q+1;
InChIKeyGDJCQAQNBVDIQA-UHFFFAOYSA-N
XLogP0.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

N-fluorosulfonylsulfamoyl fluoride;methyl(trioctyl)azanium
CID 175511644
heptyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089549
butyl(trimethyl)azanium;methanol
CID 159541051
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767
butyl(trimethyl)azanium;phosphoric acid
CID 175165471
CID 90333752
CID 90333752
N,N-dimethylmethanamine;hexadecyl(trimethyl)azanium;methanesulfonic acid
CID 174627285
lithium;methane;methanesulfonate;bis(trimethyl(octadecyl)azanium)
CID 160869131
butyl(trimethyl)azanium;trimethylazanium;dihydroxide
CID 141377929
hexyl(trimethyl)azanium;hydrogen sulfate
CID 44721199
heptadecyl(trimethyl)azanium;hydrogen sulfate
CID 172690127

Frequently Asked Questions

What is the IUPAC name of butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride?
The IUPAC name of butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride (CID 174816119) is butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride.
What is the SMILES notation for butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride?
The canonical SMILES for butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride is CCCC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)F.
What is the InChIKey of butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride?
The InChIKey is GDJCQAQNBVDIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.F2HNO4S2/c1-5-6-7-8(2,3)4;1-8(4,5)3-9(2,6)7/h5-7H2,1-4H3;3H/q+1;.
What are the key properties of butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride?
butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride has a molecular weight of 297.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethyl)azanium;N-fluorosulfonylsulfamoyl fluoride is sourced from PubChem (CID 174816119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).