bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C17H30F12N4O9S4 — CID 171930466

IUPACbis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCN1CCCC1.COC(C)[N+]1(C)CCCC1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18NO.C5H11N.C2HF6NO4S2.C2F6NO4S2/c1-8(10-3)9(2)6-4-5-7-9;1-6-4-2-3-5-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,4-7H2,1-3H3;2-5H2,1H3;9H;/q+1;;;-1
InChIKeyNLNAVYWLOWPPBC-UHFFFAOYSA-N
MW790.69 g/mol
LogP3.27
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 171930466) has the molecular formula C17H30F12N4O9S4 and a molecular weight of 790.69 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID171930466
Molecular FormulaC17H30F12N4O9S4
Molecular Weight790.69 g/mol
Exact Mass790.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCN1CCCC1.COC(C)[N+]1(C)CCCC1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18NO.C5H11N.C2HF6NO4S2.C2F6NO4S2/c1-8(10-3)9(2)6-4-5-7-9;1-6-4-2-3-5-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,4-7H2,1-3H3;2-5H2,1H3;9H;/q+1;;;-1
InChIKeyNLNAVYWLOWPPBC-UHFFFAOYSA-N
XLogP3.27
TPSA175.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500790.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 171930466) is bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CN1CCCC1.COC(C)[N+]1(C)CCCC1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is NLNAVYWLOWPPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.C5H11N.C2HF6NO4S2.C2F6NO4S2/c1-8(10-3)9(2)6-4-5-7-9;1-6-4-2-3-5-6;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8H,4-7H2,1-3H3;2-5H2,1H3;9H;/q+1;;;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 790.69 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium;1-methylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 171930466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).