3-(fluorosulfonylamino)propyl-trimethylazanium

C6H16FN2O2S+ — CID 130266408

IUPAC3-(fluorosulfonylamino)propyl-trimethylazanium
SMILESC[N+](C)(C)CCCNS(=O)(=O)F
InChIInChI=1S/C6H16FN2O2S/c1-9(2,3)6-4-5-8-12(7,10)11/h8H,4-6H2,1-3H3/q+1
InChIKeyBDPJXZUNNZLXPJ-UHFFFAOYSA-N
MW199.27 g/mol
LogP-0.11
Rot. Bonds5

About 3-(fluorosulfonylamino)propyl-trimethylazanium

3-(fluorosulfonylamino)propyl-trimethylazanium (PubChem CID 130266408) has the molecular formula C6H16FN2O2S+ and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(fluorosulfonylamino)propyl-trimethylazanium.

Molecular Properties

Compound Name3-(fluorosulfonylamino)propyl-trimethylazanium
PubChem CID130266408
Molecular FormulaC6H16FN2O2S+
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC Name3-(fluorosulfonylamino)propyl-trimethylazanium
SMILESC[N+](C)(C)CCCNS(=O)(=O)F
InChIInChI=1S/C6H16FN2O2S/c1-9(2,3)6-4-5-8-12(7,10)11/h8H,4-6H2,1-3H3/q+1
InChIKeyBDPJXZUNNZLXPJ-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-(fluorosulfonylamino)propyl-trimethylazanium?
The IUPAC name of 3-(fluorosulfonylamino)propyl-trimethylazanium (CID 130266408) is 3-(fluorosulfonylamino)propyl-trimethylazanium.
What is the SMILES notation for 3-(fluorosulfonylamino)propyl-trimethylazanium?
The canonical SMILES for 3-(fluorosulfonylamino)propyl-trimethylazanium is C[N+](C)(C)CCCNS(=O)(=O)F.
What is the InChIKey of 3-(fluorosulfonylamino)propyl-trimethylazanium?
The InChIKey is BDPJXZUNNZLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16FN2O2S/c1-9(2,3)6-4-5-8-12(7,10)11/h8H,4-6H2,1-3H3/q+1.
What are the key properties of 3-(fluorosulfonylamino)propyl-trimethylazanium?
3-(fluorosulfonylamino)propyl-trimethylazanium has a molecular weight of 199.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluorosulfonylamino)propyl-trimethylazanium is sourced from PubChem (CID 130266408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).