cyclohexylazanium;hydrogen sulfate

C6H15NO4S — CID 5284372

IUPACcyclohexylazanium;hydrogen sulfate
SMILESO=S(=O)([O-])O.[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5,7H2;(H2,1,2,3,4)
InChIKeyRGDUGERAJGGXFQ-UHFFFAOYSA-N
MW197.26 g/mol
LogP-0.43
Rot. Bonds

About cyclohexylazanium;hydrogen sulfate

cyclohexylazanium;hydrogen sulfate (PubChem CID 5284372) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is cyclohexylazanium;hydrogen sulfate.

Molecular Properties

Compound Namecyclohexylazanium;hydrogen sulfate
PubChem CID5284372
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Namecyclohexylazanium;hydrogen sulfate
SMILESO=S(=O)([O-])O.[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5,7H2;(H2,1,2,3,4)
InChIKeyRGDUGERAJGGXFQ-UHFFFAOYSA-N
XLogP-0.43
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexylazanium;hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclamate
CID 7533
Sodium Cyclamate
CID 23665706
Potassium Cyclamate
CID 23675766
Cyclohexylsulfamate
CID 3372845
N-cyclohexylsulfamide
CID 12355590
Chromic acid (H2CrO4), compd. with cyclohexanamine (1:1)
CID 88407
CID 139063605
CID 139063605
2-Heptanamine, sulfate (2:1)
CID 107130
Cyclohexanamine, sulfate (1:1)
CID 88275
(1R,2S)-cyclohexane-1,2-diamine; sulfuric acid
CID 342916
Bis(cyclohexylammonium)sulfate
CID 159837
Cyclohexylsulfamyl chloride
CID 12914615

Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;hydrogen sulfate?
The IUPAC name of cyclohexylazanium;hydrogen sulfate (CID 5284372) is cyclohexylazanium;hydrogen sulfate.
What is the SMILES notation for cyclohexylazanium;hydrogen sulfate?
The canonical SMILES for cyclohexylazanium;hydrogen sulfate is O=S(=O)([O-])O.[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;hydrogen sulfate?
The InChIKey is RGDUGERAJGGXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.H2O4S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h6H,1-5,7H2;(H2,1,2,3,4).
What are the key properties of cyclohexylazanium;hydrogen sulfate?
cyclohexylazanium;hydrogen sulfate has a molecular weight of 197.26 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;hydrogen sulfate is sourced from PubChem (CID 5284372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).