hydrogen sulfate;tripentylazanium

C15H35NO4S — CID 21318240

IUPAChydrogen sulfate;tripentylazanium
SMILESCCCCC[NH+](CCCCC)CCCCC.O=S(=O)([O-])O
InChIInChI=1S/C15H33N.H2O4S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-5(2,3)4/h4-15H2,1-3H3;(H2,1,2,3,4)
InChIKeyVZIYJEFTWFHUGS-UHFFFAOYSA-N
MW325.52 g/mol
LogP2.45
Rot. Bonds12

About hydrogen sulfate;tripentylazanium

hydrogen sulfate;tripentylazanium (PubChem CID 21318240) has the molecular formula C15H35NO4S and a molecular weight of 325.52 g/mol. Its IUPAC name is hydrogen sulfate;tripentylazanium.

Molecular Properties

Compound Namehydrogen sulfate;tripentylazanium
PubChem CID21318240
Molecular FormulaC15H35NO4S
Molecular Weight325.52 g/mol
Exact Mass325.23
IUPAC Namehydrogen sulfate;tripentylazanium
SMILESCCCCC[NH+](CCCCC)CCCCC.O=S(=O)([O-])O
InChIInChI=1S/C15H33N.H2O4S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-5(2,3)4/h4-15H2,1-3H3;(H2,1,2,3,4)
InChIKeyVZIYJEFTWFHUGS-UHFFFAOYSA-N
XLogP2.45
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 hydrogen sulfate;tripentylazanium?
The IUPAC name of hydrogen sulfate;tripentylazanium (CID 21318240) is hydrogen sulfate;tripentylazanium.
What is the SMILES notation for hydrogen sulfate;tripentylazanium?
The canonical SMILES for hydrogen sulfate;tripentylazanium is CCCCC[NH+](CCCCC)CCCCC.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;tripentylazanium?
The InChIKey is VZIYJEFTWFHUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.H2O4S/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-5(2,3)4/h4-15H2,1-3H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;tripentylazanium?
hydrogen sulfate;tripentylazanium has a molecular weight of 325.52 g/mol, XLogP of 2.45, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;tripentylazanium is sourced from PubChem (CID 21318240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).