bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium

C11H20F6N2O5S3 — CID 158737367

IUPACbis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium
SMILESCCS(=O)CC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NOS.C2F6NO4S2/c1-3-12(11)9-8-10(2)6-4-5-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyILVRBENWCJILGK-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.05
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium (PubChem CID 158737367) has the molecular formula C11H20F6N2O5S3 and a molecular weight of 470.48 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium
PubChem CID158737367
Molecular FormulaC11H20F6N2O5S3
Molecular Weight470.48 g/mol
Exact Mass470.04
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium
SMILESCCS(=O)CC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NOS.C2F6NO4S2/c1-3-12(11)9-8-10(2)6-4-5-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
InChIKeyILVRBENWCJILGK-UHFFFAOYSA-N
XLogP2.05
TPSA99.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-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-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 11048104
1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 25171607
1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 53316417
N-ethyl-N-propylpyrrolidinium bis(trifluoromethane sulfonyl)imide
CID 129855162
N-n-butyl-N-ethylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716425
1-Butyl-1-methylpyrrolidinium bis(pentafluoroethylsulfonyl)amide
CID 141281435
Trifluoromethylsulfonyl 4-(1-methylpyrrolidin-1-ium-1-yl)butane-1-sulfonate
CID 87177979
Trifluoromethylsulfonyl 4-pyrrolidin-1-ylbutane-1-sulfonate
CID 87601202
Lithium;4-(1-methylpyrrolidin-1-ium-1-yl)butane-1-sulfonate;trifluoromethanesulfonate
CID 87763551
Lithium;3-(1-methylpyrrolidin-1-ium-1-yl)propane-1-sulfonate;trifluoromethanesulfonate
CID 87764040
1-(Trifluoromethylsulfonylmethyl)-1-[3-(trifluoromethylsulfonyl)propyl]pyrrolidin-1-ium
CID 89479571
1-ethyl-1-methylpyrrolidin-1-ium;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659648

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium (CID 158737367) is bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium is CCS(=O)CC[N+]1(C)CCCC1.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-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium?
The InChIKey is ILVRBENWCJILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NOS.C2F6NO4S2/c1-3-12(11)9-8-10(2)6-4-5-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium has a molecular weight of 470.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-(2-ethylsulfinylethyl)-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 158737367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).