cyclohexylazanium;sulfate

C12H28N2O4S — CID 57370707

IUPACcyclohexylazanium;sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
InChIInChI=1S/2C6H13N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6H,1-5,7H2;(H2,1,2,3,4)
InChIKeyWZBMSCFCEJIJSE-UHFFFAOYSA-N
MW296.43 g/mol
LogP-0.22
Rot. Bonds

About cyclohexylazanium;sulfate

cyclohexylazanium;sulfate (PubChem CID 57370707) has the molecular formula C12H28N2O4S and a molecular weight of 296.43 g/mol. Its IUPAC name is cyclohexylazanium;sulfate.

Molecular Properties

Compound Namecyclohexylazanium;sulfate
PubChem CID57370707
Molecular FormulaC12H28N2O4S
Molecular Weight296.43 g/mol
Exact Mass296.18
IUPAC Namecyclohexylazanium;sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
InChIInChI=1S/2C6H13N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6H,1-5,7H2;(H2,1,2,3,4)
InChIKeyWZBMSCFCEJIJSE-UHFFFAOYSA-N
XLogP-0.22
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Calcium Cyclamate
CID 8752
Cyclamate calcium dihydrate
CID 22186
N,N'-Dicyclohexylsulfamide
CID 12765315
Magnesium cyclamate
CID 76970195
Barium cyclamate
CID 116171
Bis(cyclohexylammonium)sulfate
CID 159837
Ammonium cyclohexylsulfamate
CID 9877636
N-(butylsulfamoyl)cyclohexanamine
CID 15569633
N-Cyclo-hexyl-ammonium-N-cyclohexylsulfamat
CID 68150055
Cyclohexylazanium;dioxido(dioxo)chromium
CID 85766159
Cyclohexylhydroxylammonium sulphate (2:1)
CID 44152932
Sulfuric acid--N-hydroxycyclohexanamine (1/2)
CID 138397329

Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;sulfate?
The IUPAC name of cyclohexylazanium;sulfate (CID 57370707) is cyclohexylazanium;sulfate.
What is the SMILES notation for cyclohexylazanium;sulfate?
The canonical SMILES for cyclohexylazanium;sulfate is O=S(=O)([O-])[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;sulfate?
The InChIKey is WZBMSCFCEJIJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*6H,1-5,7H2;(H2,1,2,3,4).
What are the key properties of cyclohexylazanium;sulfate?
cyclohexylazanium;sulfate has a molecular weight of 296.43 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;sulfate is sourced from PubChem (CID 57370707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).