hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium

C6H13NO6S — CID 53470662

IUPAChydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
SMILESC=C(C)C(=O)OCC[NH3+].O=S(=O)([O-])O
InChIInChI=1S/C6H11NO2.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H2,1,2,3,4)
InChIKeyLRBSRRALUJHYDS-UHFFFAOYSA-N
MW227.24 g/mol
LogP-1.65
Rot. Bonds3

About hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium

hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium (PubChem CID 53470662) has the molecular formula C6H13NO6S and a molecular weight of 227.24 g/mol. Its IUPAC name is hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium.

Molecular Properties

Compound Namehydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
PubChem CID53470662
Molecular FormulaC6H13NO6S
Molecular Weight227.24 g/mol
Exact Mass227.05
IUPAC Namehydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium
SMILESC=C(C)C(=O)OCC[NH3+].O=S(=O)([O-])O
InChIInChI=1S/C6H11NO2.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H2,1,2,3,4)
InChIKeyLRBSRRALUJHYDS-UHFFFAOYSA-N
XLogP-1.65
TPSA131.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

methanesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 159250913
diazanium;2-(2-methylprop-2-enoyloxy)ethylazanium;trichloride
CID 143861724
benzenesulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 88734016
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
CID 87705635
CID 87705635
2-(2,2-dimethylbutanoylamino)-2-methylpropane-1-sulfonate;2-(2-methylprop-2-enoyloxy)ethylazanium
CID 123265095
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
6-(2-methylprop-2-enoyloxy)hexane-1-sulfonate
CID 140800705
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium?
The IUPAC name of hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium (CID 53470662) is hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium.
What is the SMILES notation for hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium?
The canonical SMILES for hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium is C=C(C)C(=O)OCC[NH3+].O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium?
The InChIKey is LRBSRRALUJHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.H2O4S/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h1,3-4,7H2,2H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium?
hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium has a molecular weight of 227.24 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;2-(2-methylprop-2-enoyloxy)ethylazanium is sourced from PubChem (CID 53470662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).