bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium

C12H22F6N2O4S2 — CID 131731721

IUPACbis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium
SMILESCCC[N+]1(C)CCCCC1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22N.C2F6NO4S2/c1-4-8-11(3)9-6-5-7-10(11)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,4-9H2,1-3H3;/q+1;-1
InChIKeyQXVNQVCDEVIIQD-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.47
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium (PubChem CID 131731721) has the molecular formula C12H22F6N2O4S2 and a molecular weight of 436.44 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium
PubChem CID131731721
Molecular FormulaC12H22F6N2O4S2
Molecular Weight436.44 g/mol
Exact Mass436.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium
SMILESCCC[N+]1(C)CCCCC1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H22N.C2F6NO4S2/c1-4-8-11(3)9-6-5-7-10(11)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,4-9H2,1-3H3;/q+1;-1
InChIKeyQXVNQVCDEVIIQD-UHFFFAOYSA-N
XLogP3.47
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium 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

1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 12184311
1-Methyl-1-propylpiperidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 16726630
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
Cyclohexyltrimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 44629769
Tetra-n-hexylammonium bis(trifluoromethylsulfonyl) amide
CID 12184312
Trimethyl-n-heptylammonium-bis(trifluoromethylsulfonyl) amide
CID 25172828
Hexyltributylammomium bis((trifluoromethyl)sulfonyl)imide
CID 25185927
Heptyl-ethyl-di-i-propylammonium-bis(trifluoromethylsulfonyl) amide
CID 87089432
Triethylhexylammonium bis(trifluoromethylsulfonyl)imide
CID 129816533
1-Hexyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)amide
CID 129846499
1-Ethyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 129858872

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium (CID 131731721) is bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium is CCC[N+]1(C)CCCCC1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium?
The InChIKey is QXVNQVCDEVIIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.C2F6NO4S2/c1-4-8-11(3)9-6-5-7-10(11)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,4-9H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium has a molecular weight of 436.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-1-propylpiperidin-1-ium is sourced from PubChem (CID 131731721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).