copper;bis(ethane-1,2-diamine);sulfate

C4H16CuN4O4S — CID 13102292

IUPACcopper;bis(ethane-1,2-diamine);sulfate
SMILESNCCN.NCCN.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/2C2H8N2.Cu.H2O4S/c2*3-1-2-4;;1-5(2,3)4/h2*1-4H2;;(H2,1,2,3,4)/q;;+2;/p-2
InChIKeyGPNKJBLELXHFFQ-UHFFFAOYSA-L
MW279.81 g/mol
LogP-3.53
Rot. Bonds2

About copper;bis(ethane-1,2-diamine);sulfate

copper;bis(ethane-1,2-diamine);sulfate (PubChem CID 13102292) has the molecular formula C4H16CuN4O4S and a molecular weight of 279.81 g/mol. Its IUPAC name is copper;bis(ethane-1,2-diamine);sulfate.

Molecular Properties

Compound Namecopper;bis(ethane-1,2-diamine);sulfate
PubChem CID13102292
Molecular FormulaC4H16CuN4O4S
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC Namecopper;bis(ethane-1,2-diamine);sulfate
SMILESNCCN.NCCN.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/2C2H8N2.Cu.H2O4S/c2*3-1-2-4;;1-5(2,3)4/h2*1-4H2;;(H2,1,2,3,4)/q;;+2;/p-2
InChIKeyGPNKJBLELXHFFQ-UHFFFAOYSA-L
XLogP-3.53
TPSA184.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 5-3.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(ethane-1,2-diamine);sulfate?
The IUPAC name of copper;bis(ethane-1,2-diamine);sulfate (CID 13102292) is copper;bis(ethane-1,2-diamine);sulfate.
What is the SMILES notation for copper;bis(ethane-1,2-diamine);sulfate?
The canonical SMILES for copper;bis(ethane-1,2-diamine);sulfate is NCCN.NCCN.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;bis(ethane-1,2-diamine);sulfate?
The InChIKey is GPNKJBLELXHFFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H8N2.Cu.H2O4S/c2*3-1-2-4;;1-5(2,3)4/h2*1-4H2;;(H2,1,2,3,4)/q;;+2;/p-2.
What are the key properties of copper;bis(ethane-1,2-diamine);sulfate?
copper;bis(ethane-1,2-diamine);sulfate has a molecular weight of 279.81 g/mol, XLogP of -3.53, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(ethane-1,2-diamine);sulfate is sourced from PubChem (CID 13102292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).