dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate

C6H16K2N2O8S2 — CID 173436078

IUPACdipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate
SMILESCC(C)(N)C(C)(C)N.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C6H16N2.2K.H2O8S2/c1-5(2,7)6(3,4)8;;;1-9(2,3)7-8-10(4,5)6/h7-8H2,1-4H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2
InChIKeyWXOVAEFDCXQRLU-UHFFFAOYSA-L
MW386.53 g/mol
LogP-7.68
Rot. Bonds4

About dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate

dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate (PubChem CID 173436078) has the molecular formula C6H16K2N2O8S2 and a molecular weight of 386.53 g/mol. Its IUPAC name is dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate.

Molecular Properties

Compound Namedipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate
PubChem CID173436078
Molecular FormulaC6H16K2N2O8S2
Molecular Weight386.53 g/mol
Exact Mass385.96
IUPAC Namedipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate
SMILESCC(C)(N)C(C)(C)N.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C6H16N2.2K.H2O8S2/c1-5(2,7)6(3,4)8;;;1-9(2,3)7-8-10(4,5)6/h7-8H2,1-4H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2
InChIKeyWXOVAEFDCXQRLU-UHFFFAOYSA-L
XLogP-7.68
TPSA184.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 5-7.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;sulfonatooxy sulfate
CID 516926
lithium;potassium;sulfonatooxy sulfate
CID 175555490
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
dicalcium sulfonatooxy sulfate
CID 159780487
strontium sulfonatooxy sulfate
CID 21114005
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
disodium;azane;sulfonatooxy sulfate
CID 174725660
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836
diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
CID 19430598
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604
disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
oxidooxy sulfate
CID 135037388

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate?
The IUPAC name of dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate (CID 173436078) is dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate.
What is the SMILES notation for dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate?
The canonical SMILES for dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate is CC(C)(N)C(C)(C)N.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate?
The InChIKey is WXOVAEFDCXQRLU-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H16N2.2K.H2O8S2/c1-5(2,7)6(3,4)8;;;1-9(2,3)7-8-10(4,5)6/h7-8H2,1-4H3;;;(H,1,2,3)(H,4,5,6)/q;2*+1;/p-2.
What are the key properties of dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate?
dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate has a molecular weight of 386.53 g/mol, XLogP of -7.68, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,3-dimethylbutane-2,3-diamine;sulfonatooxy sulfate is sourced from PubChem (CID 173436078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).