2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid

C8H26N2O8S+2 — CID 170844006

IUPAC2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid
SMILESO=S(=O)(O)O.OCCNCCO.OCC[NH2+]CC[OH2+]
InChIInChI=1S/2C4H11NO2.H2O4S/c2*6-3-1-5-2-4-7;1-5(2,3)4/h2*5-7H,1-4H2;(H2,1,2,3,4)/p+2
InChIKeyKIXITUQQGMENCA-UHFFFAOYSA-P
MW310.37 g/mol
LogP-4.83
Rot. Bonds8

About 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid

2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid (PubChem CID 170844006) has the molecular formula C8H26N2O8S+2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid
PubChem CID170844006
Molecular FormulaC8H26N2O8S+2
Molecular Weight310.37 g/mol
Exact Mass310.14
IUPAC Name2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid
SMILESO=S(=O)(O)O.OCCNCCO.OCC[NH2+]CC[OH2+]
InChIInChI=1S/2C4H11NO2.H2O4S/c2*6-3-1-5-2-4-7;1-5(2,3)4/h2*5-7H,1-4H2;(H2,1,2,3,4)/p+2
InChIKeyKIXITUQQGMENCA-UHFFFAOYSA-P
XLogP-4.83
TPSA186.83 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 5-4.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;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

5-(2-hydroxyethylamino)pentane-1-sulfonic acid
CID 20545792
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-(2-hydroxyethylamino)ethanol;sulfur dioxide
CID 6454530
copper;bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
CID 54610828
bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nickel(2+);nitrate
CID 54610830
bis(2-hydrazinylethanol);sulfuric acid
CID 173282474
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 174735970
azane;2-(methylamino)ethanol;sulfuric acid
CID 175379230
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid (CID 170844006) is 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid is O=S(=O)(O)O.OCCNCCO.OCC[NH2+]CC[OH2+].
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid?
The InChIKey is KIXITUQQGMENCA-UHFFFAOYSA-P. The full InChI is InChI=1S/2C4H11NO2.H2O4S/c2*6-3-1-5-2-4-7;1-5(2,3)4/h2*5-7H,1-4H2;(H2,1,2,3,4)/p+2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid?
2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid has a molecular weight of 310.37 g/mol, XLogP of -4.83, 8 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2-hydroxyethyl(2-oxonioethyl)azanium;sulfuric acid is sourced from PubChem (CID 170844006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).