azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate

C5H16N2O10S2 — CID 174828535

IUPACazane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
SMILESC=CC(=O)OCC.N.N.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/C5H8O2.2H3N.H2O8S2/c1-3-5(6)7-4-2;;;1-9(2,3)7-8-10(4,5)6/h3H,1,4H2,2H3;2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyYYEZRPSNLMXKDT-UHFFFAOYSA-N
MW328.32 g/mol
LogP-0.40
Rot. Bonds5

About azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate

azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate (PubChem CID 174828535) has the molecular formula C5H16N2O10S2 and a molecular weight of 328.32 g/mol. Its IUPAC name is azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate.

Molecular Properties

Compound Nameazane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
PubChem CID174828535
Molecular FormulaC5H16N2O10S2
Molecular Weight328.32 g/mol
Exact Mass328.02
IUPAC Nameazane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
SMILESC=CC(=O)OCC.N.N.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/C5H8O2.2H3N.H2O8S2/c1-3-5(6)7-4-2;;;1-9(2,3)7-8-10(4,5)6/h3H,1,4H2,2H3;2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyYYEZRPSNLMXKDT-UHFFFAOYSA-N
XLogP-0.40
TPSA223.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate 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

ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
2-aminoethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174928512
azane;prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 175090513
ethyl prop-2-enoate;methylimino(oxo)methane
CID 160786021

Frequently Asked Questions

What is the IUPAC name of azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate?
The IUPAC name of azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate (CID 174828535) is azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate.
What is the SMILES notation for azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate?
The canonical SMILES for azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate is C=CC(=O)OCC.N.N.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate?
The InChIKey is YYEZRPSNLMXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2H3N.H2O8S2/c1-3-5(6)7-4-2;;;1-9(2,3)7-8-10(4,5)6/h3H,1,4H2,2H3;2*1H3;(H,1,2,3)(H,4,5,6).
What are the key properties of azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate?
azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate has a molecular weight of 328.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate is sourced from PubChem (CID 174828535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).