azane;ethoxyperoxyethane;sulfuric acid

C4H18N2O7S — CID 175377897

IUPACazane;ethoxyperoxyethane;sulfuric acid
SMILESCCOOOCC.N.N.O=S(=O)(O)O
InChIInChI=1S/C4H10O3.2H3N.H2O4S/c1-3-5-7-6-4-2;;;1-5(2,3)4/h3-4H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyLBEKRERDMIGNBE-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.58
Rot. Bonds4

About azane;ethoxyperoxyethane;sulfuric acid

azane;ethoxyperoxyethane;sulfuric acid (PubChem CID 175377897) has the molecular formula C4H18N2O7S and a molecular weight of 238.26 g/mol. Its IUPAC name is azane;ethoxyperoxyethane;sulfuric acid.

Molecular Properties

Compound Nameazane;ethoxyperoxyethane;sulfuric acid
PubChem CID175377897
Molecular FormulaC4H18N2O7S
Molecular Weight238.26 g/mol
Exact Mass238.08
IUPAC Nameazane;ethoxyperoxyethane;sulfuric acid
SMILESCCOOOCC.N.N.O=S(=O)(O)O
InChIInChI=1S/C4H10O3.2H3N.H2O4S/c1-3-5-7-6-4-2;;;1-5(2,3)4/h3-4H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyLBEKRERDMIGNBE-UHFFFAOYSA-N
XLogP0.58
TPSA172.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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;ethoxyperoxyethane;sulfuric acid 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

ethoxyperoxyethane;phosphane
CID 174988204
azane;ethanamine;sulfuric acid
CID 173214245
diethyl sulfate;sulfuric acid
CID 158458335
azane;sulfuric acid
CID 173165368
azane;3-ethoxyprop-1-ene;sulfuric acid
CID 175196080
ethanol;sulfuric acid;hydrate
CID 86634241
ethanol;iron;sulfuric acid
CID 174907324
butane;sulfuric acid;zinc
CID 175431012
ethanol;silver;sulfuric acid
CID 174392237
diethoxy sulfate;ethanol
CID 88510897
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
ethyl hydrogen sulfate
CID 6004

Frequently Asked Questions

What is the IUPAC name of azane;ethoxyperoxyethane;sulfuric acid?
The IUPAC name of azane;ethoxyperoxyethane;sulfuric acid (CID 175377897) is azane;ethoxyperoxyethane;sulfuric acid.
What is the SMILES notation for azane;ethoxyperoxyethane;sulfuric acid?
The canonical SMILES for azane;ethoxyperoxyethane;sulfuric acid is CCOOOCC.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;ethoxyperoxyethane;sulfuric acid?
The InChIKey is LBEKRERDMIGNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.2H3N.H2O4S/c1-3-5-7-6-4-2;;;1-5(2,3)4/h3-4H2,1-2H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;ethoxyperoxyethane;sulfuric acid?
azane;ethoxyperoxyethane;sulfuric acid has a molecular weight of 238.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethoxyperoxyethane;sulfuric acid is sourced from PubChem (CID 175377897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).