bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium

C10H18F6N2O5S2 — CID 134716398

IUPACbis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium
SMILESCOC[N+]1(C)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18NO.C2F6NO4S2/c1-9(8-10-2)6-4-3-5-7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKeyAMDTXQZLRSSQTC-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.28
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium (PubChem CID 134716398) has the molecular formula C10H18F6N2O5S2 and a molecular weight of 424.39 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium
PubChem CID134716398
Molecular FormulaC10H18F6N2O5S2
Molecular Weight424.39 g/mol
Exact Mass424.06
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium
SMILESCOC[N+]1(C)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18NO.C2F6NO4S2/c1-9(8-10-2)6-4-3-5-7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKeyAMDTXQZLRSSQTC-UHFFFAOYSA-N
XLogP2.28
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.28
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

1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 12184311
1-Methyl-1-propylpiperidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 16726630
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
1-(3-Methoxypropyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 54613449
N-methoxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 121235361
Triethylhexylammonium bis(trifluoromethylsulfonyl)imide
CID 129816533
1-Hexyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)amide
CID 129846499
1-Ethyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 129858872
1-Methyl-1-octylpiperidinium bis((trifluoromethyl)sulfonyl)imide
CID 132280214
N-hydroxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716397
N-pentyl-N-ethylpiperidinium-bis(trifluoromethylsulfonyl)imide
CID 134716464
N,N-bis(methoxyethyl)piperidinium bis(trifluoromethylsulfonyl)imide
CID 134716478

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium (CID 134716398) is bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium is COC[N+]1(C)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium?
The InChIKey is AMDTXQZLRSSQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.C2F6NO4S2/c1-9(8-10-2)6-4-3-5-7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium has a molecular weight of 424.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-(methoxymethyl)-1-methylpiperidin-1-ium is sourced from PubChem (CID 134716398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).