azanylidyneoxidanium;(2-oxocyclohexyl) sulfate

C6H9NO6S — CID 10933076

IUPACazanylidyneoxidanium;(2-oxocyclohexyl) sulfate
SMILESN#[O+].O=C1CCCCC1OS(=O)(=O)[O-]
InChIInChI=1S/C6H10O5S.NO/c7-5-3-1-2-4-6(5)11-12(8,9)10;1-2/h6H,1-4H2,(H,8,9,10);/q;+1/p-1
InChIKeyXJVYXEBECHDEPV-UHFFFAOYSA-M
MW223.21 g/mol
LogP-0.13
Rot. Bonds2

About azanylidyneoxidanium;(2-oxocyclohexyl) sulfate

azanylidyneoxidanium;(2-oxocyclohexyl) sulfate (PubChem CID 10933076) has the molecular formula C6H9NO6S and a molecular weight of 223.21 g/mol. Its IUPAC name is azanylidyneoxidanium;(2-oxocyclohexyl) sulfate.

Molecular Properties

Compound Nameazanylidyneoxidanium;(2-oxocyclohexyl) sulfate
PubChem CID10933076
Molecular FormulaC6H9NO6S
Molecular Weight223.21 g/mol
Exact Mass223.02
IUPAC Nameazanylidyneoxidanium;(2-oxocyclohexyl) sulfate
SMILESN#[O+].O=C1CCCCC1OS(=O)(=O)[O-]
InChIInChI=1S/C6H10O5S.NO/c7-5-3-1-2-4-6(5)11-12(8,9)10;1-2/h6H,1-4H2,(H,8,9,10);/q;+1/p-1
InChIKeyXJVYXEBECHDEPV-UHFFFAOYSA-M
XLogP-0.13
TPSA127.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

2-(Nitrooxy)cyclohexanone
CID 14486917
2-Aminooxycyclohexan-1-one
CID 105427426
(2-Oxocyclohexyl) hydrogen sulfite
CID 140337504
2-Hydroxysulfonothioyloxycyclohexan-1-one
CID 156449060
Azane;(2-oxocyclohexyl) hydrogen sulfate
CID 173162703
Potassium (2-oxocyclohexyl) sulfite
CID 175029499
(2-Oxocyclohexyl) hydrogen sulfate
CID 10933077
Ethyl 2-oxocyclohexyl sulfate
CID 13331543
(2R)-2-aminooxycyclohexan-1-one
CID 177510671

Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;(2-oxocyclohexyl) sulfate?
The IUPAC name of azanylidyneoxidanium;(2-oxocyclohexyl) sulfate (CID 10933076) is azanylidyneoxidanium;(2-oxocyclohexyl) sulfate.
What is the SMILES notation for azanylidyneoxidanium;(2-oxocyclohexyl) sulfate?
The canonical SMILES for azanylidyneoxidanium;(2-oxocyclohexyl) sulfate is N#[O+].O=C1CCCCC1OS(=O)(=O)[O-].
What is the InChIKey of azanylidyneoxidanium;(2-oxocyclohexyl) sulfate?
The InChIKey is XJVYXEBECHDEPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O5S.NO/c7-5-3-1-2-4-6(5)11-12(8,9)10;1-2/h6H,1-4H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of azanylidyneoxidanium;(2-oxocyclohexyl) sulfate?
azanylidyneoxidanium;(2-oxocyclohexyl) sulfate has a molecular weight of 223.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;(2-oxocyclohexyl) sulfate is sourced from PubChem (CID 10933076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).