bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium

C7H12F2N2O4S2 — CID 24858107

IUPACbis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium
SMILESCC[N+]1(C)C=CC=C1.O=S(=O)(F)[N-]S(=O)(=O)F
InChIInChI=1S/C7H12N.F2NO4S2/c1-3-8(2)6-4-5-7-8;1-8(4,5)3-9(2,6)7/h4-7H,3H2,1-2H3;/q+1;-1
InChIKeyNIVRFXOIJHCMFM-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.28
Rot. Bonds3

About bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium

bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium (PubChem CID 24858107) has the molecular formula C7H12F2N2O4S2 and a molecular weight of 290.31 g/mol. Its IUPAC name is bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium.

Molecular Properties

Compound Namebis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium
PubChem CID24858107
Molecular FormulaC7H12F2N2O4S2
Molecular Weight290.31 g/mol
Exact Mass290.02
IUPAC Namebis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium
SMILESCC[N+]1(C)C=CC=C1.O=S(=O)(F)[N-]S(=O)(=O)F
InChIInChI=1S/C7H12N.F2NO4S2/c1-3-8(2)6-4-5-7-8;1-8(4,5)3-9(2,6)7/h4-7H,3H2,1-2H3;/q+1;-1
InChIKeyNIVRFXOIJHCMFM-UHFFFAOYSA-N
XLogP1.28
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-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

Frequently Asked Questions

What is the IUPAC name of bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium?
The IUPAC name of bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium (CID 24858107) is bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium.
What is the SMILES notation for bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium?
The canonical SMILES for bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium is CC[N+]1(C)C=CC=C1.O=S(=O)(F)[N-]S(=O)(=O)F.
What is the InChIKey of bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium?
The InChIKey is NIVRFXOIJHCMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N.F2NO4S2/c1-3-8(2)6-4-5-7-8;1-8(4,5)3-9(2,6)7/h4-7H,3H2,1-2H3;/q+1;-1.
What are the key properties of bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium?
bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium has a molecular weight of 290.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(fluorosulfonyl)azanide;1-ethyl-1-methylpyrrol-1-ium is sourced from PubChem (CID 24858107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).