propylazanium;sulfate

C6H20N2O4S — CID 88779842

IUPACpropylazanium;sulfate
SMILESCCC[NH3+].CCC[NH3+].O=S(=O)([O-])[O-]
InChIInChI=1S/2C3H9N.H2O4S/c2*1-2-3-4;1-5(2,3)4/h2*2-4H2,1H3;(H2,1,2,3,4)
InChIKeyUDDFKHHCYJZBDJ-UHFFFAOYSA-N
MW216.30 g/mol
LogP-2.06
Rot. Bonds2

About propylazanium;sulfate

propylazanium;sulfate (PubChem CID 88779842) has the molecular formula C6H20N2O4S and a molecular weight of 216.30 g/mol. Its IUPAC name is propylazanium;sulfate.

Molecular Properties

Compound Namepropylazanium;sulfate
PubChem CID88779842
Molecular FormulaC6H20N2O4S
Molecular Weight216.30 g/mol
Exact Mass216.11
IUPAC Namepropylazanium;sulfate
SMILESCCC[NH3+].CCC[NH3+].O=S(=O)([O-])[O-]
InChIInChI=1S/2C3H9N.H2O4S/c2*1-2-3-4;1-5(2,3)4/h2*2-4H2,1H3;(H2,1,2,3,4)
InChIKeyUDDFKHHCYJZBDJ-UHFFFAOYSA-N
XLogP-2.06
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 5-2.06
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

N,N'-Dibutylsulphamide
CID 69809
N-butylsulfamide
CID 12355589
N,N''''-Dipropylsulfamide
CID 15729847
sulfuric acid, di(butylamine) salt
CID 217637
Sulfuric acid, di(ethylamine) salt
CID 120270
sulfuric acid, di(propylamine) salt
CID 3055952
n-Propylsulfamide
CID 13949558
N,N'-Diethylsulfamide
CID 219236
Bis(isopropylammonium) sulphate
CID 6454858
N,N'-diisopropylsulfamide
CID 2818101
Ethyl ammonium sulfate
CID 9834157
n-Butylammonium sulfate
CID 86618199

Frequently Asked Questions

What is the IUPAC name of propylazanium;sulfate?
The IUPAC name of propylazanium;sulfate (CID 88779842) is propylazanium;sulfate.
What is the SMILES notation for propylazanium;sulfate?
The canonical SMILES for propylazanium;sulfate is CCC[NH3+].CCC[NH3+].O=S(=O)([O-])[O-].
What is the InChIKey of propylazanium;sulfate?
The InChIKey is UDDFKHHCYJZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.H2O4S/c2*1-2-3-4;1-5(2,3)4/h2*2-4H2,1H3;(H2,1,2,3,4).
What are the key properties of propylazanium;sulfate?
propylazanium;sulfate has a molecular weight of 216.30 g/mol, XLogP of -2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propylazanium;sulfate is sourced from PubChem (CID 88779842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).