3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium

C6H15FIN2O2S+ — CID 130266530

IUPAC3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium
SMILESC[N+](C)(CI)CCCNS(=O)(=O)F
InChIInChI=1S/C6H15FIN2O2S/c1-10(2,6-8)5-3-4-9-13(7,11)12/h9H,3-6H2,1-2H3/q+1
InChIKeyZVJDPFUOVWWPPH-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.65
Rot. Bonds6

About 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium

3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium (PubChem CID 130266530) has the molecular formula C6H15FIN2O2S+ and a molecular weight of 325.17 g/mol. Its IUPAC name is 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium.

Molecular Properties

Compound Name3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium
PubChem CID130266530
Molecular FormulaC6H15FIN2O2S+
Molecular Weight325.17 g/mol
Exact Mass324.99
IUPAC Name3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium
SMILESC[N+](C)(CI)CCCNS(=O)(=O)F
InChIInChI=1S/C6H15FIN2O2S/c1-10(2,6-8)5-3-4-9-13(7,11)12/h9H,3-6H2,1-2H3/q+1
InChIKeyZVJDPFUOVWWPPH-UHFFFAOYSA-N
XLogP0.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium 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 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium?
The IUPAC name of 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium (CID 130266530) is 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium.
What is the SMILES notation for 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium?
The canonical SMILES for 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium is C[N+](C)(CI)CCCNS(=O)(=O)F.
What is the InChIKey of 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium?
The InChIKey is ZVJDPFUOVWWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FIN2O2S/c1-10(2,6-8)5-3-4-9-13(7,11)12/h9H,3-6H2,1-2H3/q+1.
What are the key properties of 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium?
3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium has a molecular weight of 325.17 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluorosulfonylamino)propyl-(iodomethyl)-dimethylazanium is sourced from PubChem (CID 130266530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).