aminooxysulfonyl octane-1-sulfonate

C8H19NO6S2 — CID 174717330

IUPACaminooxysulfonyl octane-1-sulfonate
SMILESCCCCCCCCS(=O)(=O)OS(=O)(=O)ON
InChIInChI=1S/C8H19NO6S2/c1-2-3-4-5-6-7-8-16(10,11)15-17(12,13)14-9/h2-9H2,1H3
InChIKeyAPEBURSUPPPEQJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.83
Rot. Bonds10

About aminooxysulfonyl octane-1-sulfonate

aminooxysulfonyl octane-1-sulfonate (PubChem CID 174717330) has the molecular formula C8H19NO6S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is aminooxysulfonyl octane-1-sulfonate.

Molecular Properties

Compound Nameaminooxysulfonyl octane-1-sulfonate
PubChem CID174717330
Molecular FormulaC8H19NO6S2
Molecular Weight289.38 g/mol
Exact Mass289.07
IUPAC Nameaminooxysulfonyl octane-1-sulfonate
SMILESCCCCCCCCS(=O)(=O)OS(=O)(=O)ON
InChIInChI=1S/C8H19NO6S2/c1-2-3-4-5-6-7-8-16(10,11)15-17(12,13)14-9/h2-9H2,1H3
InChIKeyAPEBURSUPPPEQJ-UHFFFAOYSA-N
XLogP0.83
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dipotassium;dodecylsulfonyloxysulfonyl dodecane-1-sulfonate;hydride
CID 174960478
lithium octane-1-sulfonoperoxoate
CID 158949826
hydroxymethyl heptane-1-sulfonate
CID 174685391
fluoro octane-1-sulfonate;octadecan-1-amine
CID 174821915
ethyl dodecane-1-sulfonate
CID 91372072
ethyl decane-1-sulfonate
CID 22672297
phosphanyl tetradecane-1-sulfonate
CID 139601424
ethyl nonane-1-sulfonate
CID 152681372
azane;ethyl hexane-1-sulfonate
CID 174617270
tridecyl tridecane-1-sulfonate
CID 123645713
fluoro octane-1-sulfonate;zirconium
CID 175196316
hexadecyl octane-1-sulfonate
CID 172859291

Frequently Asked Questions

What is the IUPAC name of aminooxysulfonyl octane-1-sulfonate?
The IUPAC name of aminooxysulfonyl octane-1-sulfonate (CID 174717330) is aminooxysulfonyl octane-1-sulfonate.
What is the SMILES notation for aminooxysulfonyl octane-1-sulfonate?
The canonical SMILES for aminooxysulfonyl octane-1-sulfonate is CCCCCCCCS(=O)(=O)OS(=O)(=O)ON.
What is the InChIKey of aminooxysulfonyl octane-1-sulfonate?
The InChIKey is APEBURSUPPPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6S2/c1-2-3-4-5-6-7-8-16(10,11)15-17(12,13)14-9/h2-9H2,1H3.
What are the key properties of aminooxysulfonyl octane-1-sulfonate?
aminooxysulfonyl octane-1-sulfonate has a molecular weight of 289.38 g/mol, XLogP of 0.83, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxysulfonyl octane-1-sulfonate is sourced from PubChem (CID 174717330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).