trifluoromethanesulfonamide;trimethyl(propyl)azanium

C7H18F3N2O2S+ — CID 87657306

IUPACtrifluoromethanesulfonamide;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H16N.CH2F3NO2S/c1-5-6-7(2,3)4;2-1(3,4)8(5,6)7/h5-6H2,1-4H3;(H2,5,6,7)/q+1;
InChIKeyOZPNZCDOMDCYIT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.90
Rot. Bonds2

About trifluoromethanesulfonamide;trimethyl(propyl)azanium

trifluoromethanesulfonamide;trimethyl(propyl)azanium (PubChem CID 87657306) has the molecular formula C7H18F3N2O2S+ and a molecular weight of 251.29 g/mol. Its IUPAC name is trifluoromethanesulfonamide;trimethyl(propyl)azanium.

Molecular Properties

Compound Nametrifluoromethanesulfonamide;trimethyl(propyl)azanium
PubChem CID87657306
Molecular FormulaC7H18F3N2O2S+
Molecular Weight251.29 g/mol
Exact Mass251.10
IUPAC Nametrifluoromethanesulfonamide;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H16N.CH2F3NO2S/c1-5-6-7(2,3)4;2-1(3,4)8(5,6)7/h5-6H2,1-4H3;(H2,5,6,7)/q+1;
InChIKeyOZPNZCDOMDCYIT-UHFFFAOYSA-N
XLogP0.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 90333752
CID 90333752
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
azane;bis(trifluoromethanesulfonamide)
CID 171927833
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87103721
CID 87103721
CID 87784182
CID 87784182
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
fluoroform;trimethyl(propyl)azanium
CID 87248213
bis(2-methylprop-2-enamide);bis(trimethyl(propyl)azanium);sulfate
CID 19069947
calcium;hydride;trifluoromethanesulfonamide
CID 175005756
heptyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089549

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonamide;trimethyl(propyl)azanium?
The IUPAC name of trifluoromethanesulfonamide;trimethyl(propyl)azanium (CID 87657306) is trifluoromethanesulfonamide;trimethyl(propyl)azanium.
What is the SMILES notation for trifluoromethanesulfonamide;trimethyl(propyl)azanium?
The canonical SMILES for trifluoromethanesulfonamide;trimethyl(propyl)azanium is CCC[N+](C)(C)C.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonamide;trimethyl(propyl)azanium?
The InChIKey is OZPNZCDOMDCYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N.CH2F3NO2S/c1-5-6-7(2,3)4;2-1(3,4)8(5,6)7/h5-6H2,1-4H3;(H2,5,6,7)/q+1;.
What are the key properties of trifluoromethanesulfonamide;trimethyl(propyl)azanium?
trifluoromethanesulfonamide;trimethyl(propyl)azanium has a molecular weight of 251.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonamide;trimethyl(propyl)azanium is sourced from PubChem (CID 87657306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).