1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C10H21F4N2O4S2+ — CID 118659657

IUPAC1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESCCC[N+]1(C)CCCCC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H20N.CHF4NO4S2/c1-3-7-10(2)8-5-4-6-9-10;2-1(3,4)11(7,8)6-12(5,9)10/h3-9H2,1-2H3;6H/q+1;
InChIKeyWOJHNEIYXHHKIJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.67
Rot. Bonds4

About 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659657) has the molecular formula C10H21F4N2O4S2+ and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound Name1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID118659657
Molecular FormulaC10H21F4N2O4S2+
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESCCC[N+]1(C)CCCCC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H20N.CHF4NO4S2/c1-3-7-10(2)8-5-4-6-9-10;2-1(3,4)11(7,8)6-12(5,9)10/h3-9H2,1-2H3;6H/q+1;
InChIKeyWOJHNEIYXHHKIJ-UHFFFAOYSA-N
XLogP1.67
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
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-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
N-pentyl-N-ethylpiperidinium-bis(trifluoromethylsulfonyl)imide
CID 134716464
Triethyl-n-heptylammonium-bis(trifluoromethylsulfonyl) amide
CID 134716486
Tetra-n-pentylammonium bis(trifluoromethylsulfonyl) amide
CID 134716531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 118659657) is 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is CCC[N+]1(C)CCCCC1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is WOJHNEIYXHHKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.CHF4NO4S2/c1-3-7-10(2)8-5-4-6-9-10;2-1(3,4)11(7,8)6-12(5,9)10/h3-9H2,1-2H3;6H/q+1;.
What are the key properties of 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 373.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propylpiperidin-1-ium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).