5-azaniumylpentylazanium sulfate

C5H16N2O4S — CID 159934938

IUPAC5-azaniumylpentylazanium sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]CCCCC[NH3+]
InChIInChI=1S/C5H14N2.H2O4S/c6-4-2-1-3-5-7;1-5(2,3)4/h1-7H2;(H2,1,2,3,4)
InChIKeyOACUNRCVXCMTJN-UHFFFAOYSA-N
MW200.26 g/mol
LogP-2.70
Rot. Bonds4

About 5-azaniumylpentylazanium sulfate

5-azaniumylpentylazanium sulfate (PubChem CID 159934938) has the molecular formula C5H16N2O4S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-azaniumylpentylazanium sulfate.

Molecular Properties

Compound Name5-azaniumylpentylazanium sulfate
PubChem CID159934938
Molecular FormulaC5H16N2O4S
Molecular Weight200.26 g/mol
Exact Mass200.08
IUPAC Name5-azaniumylpentylazanium sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]CCCCC[NH3+]
InChIInChI=1S/C5H14N2.H2O4S/c6-4-2-1-3-5-7;1-5(2,3)4/h1-7H2;(H2,1,2,3,4)
InChIKeyOACUNRCVXCMTJN-UHFFFAOYSA-N
XLogP-2.70
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

octylazanium;sulfate
CID 87714647
hexylazanium;sulfate
CID 88757421
dodecylazanium;ethene;sulfate
CID 157096018
butylazanium;sulfate
CID 86618199
methanesulfonate;bis(octadecylazanium)
CID 172868209
2-azaniumylethylazanium;iron(2+);disulfate
CID 11289852
dodecylazanium;propane-1-sulfonate
CID 161057957
methyl sulfate;undecylazanium
CID 18691759
hydroxymethylazanium;sulfate
CID 161009547
antimony(3+);molybdenum(4+);trisulfate
CID 172694706
18,18-dimethylnonadecylazanium;propane-1-sulfonate
CID 87092531
hexadecasilver;octasulfate
CID 174664647

Frequently Asked Questions

What is the IUPAC name of 5-azaniumylpentylazanium sulfate?
The IUPAC name of 5-azaniumylpentylazanium sulfate (CID 159934938) is 5-azaniumylpentylazanium sulfate.
What is the SMILES notation for 5-azaniumylpentylazanium sulfate?
The canonical SMILES for 5-azaniumylpentylazanium sulfate is O=S(=O)([O-])[O-].[NH3+]CCCCC[NH3+].
What is the InChIKey of 5-azaniumylpentylazanium sulfate?
The InChIKey is OACUNRCVXCMTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.H2O4S/c6-4-2-1-3-5-7;1-5(2,3)4/h1-7H2;(H2,1,2,3,4).
What are the key properties of 5-azaniumylpentylazanium sulfate?
5-azaniumylpentylazanium sulfate has a molecular weight of 200.26 g/mol, XLogP of -2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaniumylpentylazanium sulfate is sourced from PubChem (CID 159934938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).