5,8-diazaspiro[2.6]nonane;sulfuric acid

C7H16N2O4S — CID 71811338

IUPAC5,8-diazaspiro[2.6]nonane;sulfuric acid
SMILESC1CNCC2(CC2)CN1.O=S(=O)(O)O
InChIInChI=1S/C7H14N2.H2O4S/c1-2-7(1)5-8-3-4-9-6-7;1-5(2,3)4/h8-9H,1-6H2;(H2,1,2,3,4)
InChIKeyVGOHBWSNBIUCGA-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.69
Rot. Bonds

About 5,8-diazaspiro[2.6]nonane;sulfuric acid

5,8-diazaspiro[2.6]nonane;sulfuric acid (PubChem CID 71811338) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5,8-diazaspiro[2.6]nonane;sulfuric acid.

Molecular Properties

Compound Name5,8-diazaspiro[2.6]nonane;sulfuric acid
PubChem CID71811338
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name5,8-diazaspiro[2.6]nonane;sulfuric acid
SMILESC1CNCC2(CC2)CN1.O=S(=O)(O)O
InChIInChI=1S/C7H14N2.H2O4S/c1-2-7(1)5-8-3-4-9-6-7;1-5(2,3)4/h8-9H,1-6H2;(H2,1,2,3,4)
InChIKeyVGOHBWSNBIUCGA-UHFFFAOYSA-N
XLogP-0.69
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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7-azaspiro[4.6]undecane
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CID 103574103
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Frequently Asked Questions

What is the IUPAC name of 5,8-diazaspiro[2.6]nonane;sulfuric acid?
The IUPAC name of 5,8-diazaspiro[2.6]nonane;sulfuric acid (CID 71811338) is 5,8-diazaspiro[2.6]nonane;sulfuric acid.
What is the SMILES notation for 5,8-diazaspiro[2.6]nonane;sulfuric acid?
The canonical SMILES for 5,8-diazaspiro[2.6]nonane;sulfuric acid is C1CNCC2(CC2)CN1.O=S(=O)(O)O.
What is the InChIKey of 5,8-diazaspiro[2.6]nonane;sulfuric acid?
The InChIKey is VGOHBWSNBIUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.H2O4S/c1-2-7(1)5-8-3-4-9-6-7;1-5(2,3)4/h8-9H,1-6H2;(H2,1,2,3,4).
What are the key properties of 5,8-diazaspiro[2.6]nonane;sulfuric acid?
5,8-diazaspiro[2.6]nonane;sulfuric acid has a molecular weight of 224.28 g/mol, XLogP of -0.69, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diazaspiro[2.6]nonane;sulfuric acid is sourced from PubChem (CID 71811338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).