[2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium

C7H11F6N2O5S2+ — CID 122585424

IUPAC[2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F6N2O5S2/c1-15(2,3)4-5(16)14(21(17,18)6(8,9)10)22(19,20)7(11,12)13/h4H2,1-3H3/q+1
InChIKeyQSOAZIDBEURSCJ-UHFFFAOYSA-N
MW381.30 g/mol
LogP0.22
Rot. Bonds4

About [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium

[2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium (PubChem CID 122585424) has the molecular formula C7H11F6N2O5S2+ and a molecular weight of 381.30 g/mol. Its IUPAC name is [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium
PubChem CID122585424
Molecular FormulaC7H11F6N2O5S2+
Molecular Weight381.30 g/mol
Exact Mass381.00
IUPAC Name[2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F6N2O5S2/c1-15(2,3)4-5(16)14(21(17,18)6(8,9)10)22(19,20)7(11,12)13/h4H2,1-3H3/q+1
InChIKeyQSOAZIDBEURSCJ-UHFFFAOYSA-N
XLogP0.22
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 15104064
CID 15104064
CID 20485408
CID 20485408
CID 23337364
CID 23337364
CID 23337369
CID 23337369
CID 23337395
CID 23337395
CID 60000501
CID 60000501
CID 173637741
CID 173637741
CID 64584366
CID 64584366

Frequently Asked Questions

What is the IUPAC name of [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium (CID 122585424) is [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium?
The InChIKey is QSOAZIDBEURSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6N2O5S2/c1-15(2,3)4-5(16)14(21(17,18)6(8,9)10)22(19,20)7(11,12)13/h4H2,1-3H3/q+1.
What are the key properties of [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium?
[2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium has a molecular weight of 381.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(trifluoromethylsulfonyl)amino]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 122585424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).