ethyl(hydroxy)azanium;hydrogen sulfate

C2H9NO5S — CID 19822603

IUPACethyl(hydroxy)azanium;hydrogen sulfate
SMILESCC[NH2+]O.O=S(=O)([O-])O
InChIInChI=1S/C2H7NO.H2O4S/c1-2-3-4;1-5(2,3)4/h3-4H,2H2,1H3;(H2,1,2,3,4)
InChIKeyAZBRJNVNGXAMHL-UHFFFAOYSA-N
MW159.16 g/mol
LogP-2.04
Rot. Bonds1

About ethyl(hydroxy)azanium;hydrogen sulfate

ethyl(hydroxy)azanium;hydrogen sulfate (PubChem CID 19822603) has the molecular formula C2H9NO5S and a molecular weight of 159.16 g/mol. Its IUPAC name is ethyl(hydroxy)azanium;hydrogen sulfate.

Molecular Properties

Compound Nameethyl(hydroxy)azanium;hydrogen sulfate
PubChem CID19822603
Molecular FormulaC2H9NO5S
Molecular Weight159.16 g/mol
Exact Mass159.02
IUPAC Nameethyl(hydroxy)azanium;hydrogen sulfate
SMILESCC[NH2+]O.O=S(=O)([O-])O
InChIInChI=1S/C2H7NO.H2O4S/c1-2-3-4;1-5(2,3)4/h3-4H,2H2,1H3;(H2,1,2,3,4)
InChIKeyAZBRJNVNGXAMHL-UHFFFAOYSA-N
XLogP-2.04
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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 ethyl(hydroxy)azanium;hydrogen sulfate?
The IUPAC name of ethyl(hydroxy)azanium;hydrogen sulfate (CID 19822603) is ethyl(hydroxy)azanium;hydrogen sulfate.
What is the SMILES notation for ethyl(hydroxy)azanium;hydrogen sulfate?
The canonical SMILES for ethyl(hydroxy)azanium;hydrogen sulfate is CC[NH2+]O.O=S(=O)([O-])O.
What is the InChIKey of ethyl(hydroxy)azanium;hydrogen sulfate?
The InChIKey is AZBRJNVNGXAMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.H2O4S/c1-2-3-4;1-5(2,3)4/h3-4H,2H2,1H3;(H2,1,2,3,4).
What are the key properties of ethyl(hydroxy)azanium;hydrogen sulfate?
ethyl(hydroxy)azanium;hydrogen sulfate has a molecular weight of 159.16 g/mol, XLogP of -2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(hydroxy)azanium;hydrogen sulfate is sourced from PubChem (CID 19822603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).