bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide

C20H41F5N4O10S4+2 — CID 160760198

IUPACbis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
SMILESC=COCC[N+]1(C)CCCC1.C=COCC[N+]1(C)CCCC1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.O=S(=O)(F)NS(=O)(=O)F
InChIInChI=1S/2C9H18NO.C2H4F3NO4S2.F2HNO4S2/c2*1-3-11-9-8-10(2)6-4-5-7-10;1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h2*3H,1,4-9H2,2H3;6H,1H3;3H/q2*+1;;
InChIKeyLIWMOMZNWODJLD-UHFFFAOYSA-N
MW720.82 g/mol
LogP1.16
Rot. Bonds12

About bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide

bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide (PubChem CID 160760198) has the molecular formula C20H41F5N4O10S4+2 and a molecular weight of 720.82 g/mol. Its IUPAC name is bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound Namebis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
PubChem CID160760198
Molecular FormulaC20H41F5N4O10S4+2
Molecular Weight720.82 g/mol
Exact Mass720.16
IUPAC Namebis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
SMILESC=COCC[N+]1(C)CCCC1.C=COCC[N+]1(C)CCCC1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.O=S(=O)(F)NS(=O)(=O)F
InChIInChI=1S/2C9H18NO.C2H4F3NO4S2.F2HNO4S2/c2*1-3-11-9-8-10(2)6-4-5-7-10;1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h2*3H,1,4-9H2,2H3;6H,1H3;3H/q2*+1;;
InChIKeyLIWMOMZNWODJLD-UHFFFAOYSA-N
XLogP1.16
TPSA179.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.82
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
The IUPAC name of bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide (CID 160760198) is bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide is C=COCC[N+]1(C)CCCC1.C=COCC[N+]1(C)CCCC1.CS(=O)(=O)NS(=O)(=O)C(F)(F)F.O=S(=O)(F)NS(=O)(=O)F.
What is the InChIKey of bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
The InChIKey is LIWMOMZNWODJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18NO.C2H4F3NO4S2.F2HNO4S2/c2*1-3-11-9-8-10(2)6-4-5-7-10;1-11(7,8)6-12(9,10)2(3,4)5;1-8(4,5)3-9(2,6)7/h2*3H,1,4-9H2,2H3;6H,1H3;3H/q2*+1;;.
What are the key properties of bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide?
bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide has a molecular weight of 720.82 g/mol, XLogP of 1.16, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-ethenoxyethyl)-1-methylpyrrolidin-1-ium);N-fluorosulfonylsulfamoyl fluoride;1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 160760198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).