hydrogen sulfate;tetrahexylazanium

C24H53NO4S — CID 11015848

IUPAChydrogen sulfate;tetrahexylazanium
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.O=S(=O)([O-])O
InChIInChI=1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyRULHPTADXJPDSN-UHFFFAOYSA-M
MW451.76 g/mol
LogP7.13
Rot. Bonds20

About hydrogen sulfate;tetrahexylazanium

hydrogen sulfate;tetrahexylazanium (PubChem CID 11015848) has the molecular formula C24H53NO4S and a molecular weight of 451.76 g/mol. Its IUPAC name is hydrogen sulfate;tetrahexylazanium.

Molecular Properties

Compound Namehydrogen sulfate;tetrahexylazanium
PubChem CID11015848
Molecular FormulaC24H53NO4S
Molecular Weight451.76 g/mol
Exact Mass451.37
IUPAC Namehydrogen sulfate;tetrahexylazanium
SMILESCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.O=S(=O)([O-])O
InChIInChI=1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyRULHPTADXJPDSN-UHFFFAOYSA-M
XLogP7.13
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze hydrogen sulfate;tetrahexylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;tetrahexylazanium?
The IUPAC name of hydrogen sulfate;tetrahexylazanium (CID 11015848) is hydrogen sulfate;tetrahexylazanium.
What is the SMILES notation for hydrogen sulfate;tetrahexylazanium?
The canonical SMILES for hydrogen sulfate;tetrahexylazanium is CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;tetrahexylazanium?
The InChIKey is RULHPTADXJPDSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of hydrogen sulfate;tetrahexylazanium?
hydrogen sulfate;tetrahexylazanium has a molecular weight of 451.76 g/mol, XLogP of 7.13, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;tetrahexylazanium is sourced from PubChem (CID 11015848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).