azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate

C3H12FeN2O5S — CID 172725164

IUPACazane;N,N-dimethylmethanamine oxide;iron(2+);sulfate
SMILESC[N+](C)(C)[O-].N.O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/C3H9NO.Fe.H3N.H2O4S/c1-4(2,3)5;;;1-5(2,3)4/h1-3H3;;1H3;(H2,1,2,3,4)/q;+2;;/p-2
InChIKeyHAWTZCZBITZPDA-UHFFFAOYSA-L
MW244.05 g/mol
LogP-0.99
Rot. Bonds

About azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate

azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate (PubChem CID 172725164) has the molecular formula C3H12FeN2O5S and a molecular weight of 244.05 g/mol. Its IUPAC name is azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate.

Molecular Properties

Compound Nameazane;N,N-dimethylmethanamine oxide;iron(2+);sulfate
PubChem CID172725164
Molecular FormulaC3H12FeN2O5S
Molecular Weight244.05 g/mol
Exact Mass243.98
IUPAC Nameazane;N,N-dimethylmethanamine oxide;iron(2+);sulfate
SMILESC[N+](C)(C)[O-].N.O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/C3H9NO.Fe.H3N.H2O4S/c1-4(2,3)5;;;1-5(2,3)4/h1-3H3;;1H3;(H2,1,2,3,4)/q;+2;;/p-2
InChIKeyHAWTZCZBITZPDA-UHFFFAOYSA-L
XLogP-0.99
TPSA138.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate?
The IUPAC name of azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate (CID 172725164) is azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate.
What is the SMILES notation for azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate?
The canonical SMILES for azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate is C[N+](C)(C)[O-].N.O=S(=O)([O-])[O-].[Fe+2].
What is the InChIKey of azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate?
The InChIKey is HAWTZCZBITZPDA-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9NO.Fe.H3N.H2O4S/c1-4(2,3)5;;;1-5(2,3)4/h1-3H3;;1H3;(H2,1,2,3,4)/q;+2;;/p-2.
What are the key properties of azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate?
azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate has a molecular weight of 244.05 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylmethanamine oxide;iron(2+);sulfate is sourced from PubChem (CID 172725164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).