bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium

C14H26F6N2O4S2 — CID 134716464

IUPACbis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium
SMILESCCCCC[N+]1(CC)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H26N.C2F6NO4S2/c1-3-5-7-10-13(4-2)11-8-6-9-12-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-12H2,1-2H3;/q+1;-1
InChIKeyVNWKBGRKJOLUQM-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.26
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium (PubChem CID 134716464) has the molecular formula C14H26F6N2O4S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium
PubChem CID134716464
Molecular FormulaC14H26F6N2O4S2
Molecular Weight464.49 g/mol
Exact Mass464.12
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium
SMILESCCCCC[N+]1(CC)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H26N.C2F6NO4S2/c1-3-5-7-10-13(4-2)11-8-6-9-12-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-12H2,1-2H3;/q+1;-1
InChIKeyVNWKBGRKJOLUQM-UHFFFAOYSA-N
XLogP4.26
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium (CID 134716464) is bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium is CCCCC[N+]1(CC)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-ethyl-1-pentylpiperidin-1-ium?
The InChIKey is VNWKBGRKJOLUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N.C2F6NO4S2/c1-3-5-7-10-13(4-2)11-8-6-9-12-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-12H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium has a molecular weight of 464.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-pentylpiperidin-1-ium is sourced from PubChem (CID 134716464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).