2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid

C6H17NO6S — CID 19968816

IUPAC2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
SMILESCCN(CCO)CCO.O=S(=O)(O)O
InChIInChI=1S/C6H15NO2.H2O4S/c1-2-7(3-5-8)4-6-9;1-5(2,3)4/h8-9H,2-6H2,1H3;(H2,1,2,3,4)
InChIKeyDACZNTKLSCLRBE-UHFFFAOYSA-N
MW231.27 g/mol
LogP-1.36
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid

2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid (PubChem CID 19968816) has the molecular formula C6H17NO6S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
PubChem CID19968816
Molecular FormulaC6H17NO6S
Molecular Weight231.27 g/mol
Exact Mass231.08
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
SMILESCCN(CCO)CCO.O=S(=O)(O)O
InChIInChI=1S/C6H15NO2.H2O4S/c1-2-7(3-5-8)4-6-9;1-5(2,3)4/h8-9H,2-6H2,1H3;(H2,1,2,3,4)
InChIKeyDACZNTKLSCLRBE-UHFFFAOYSA-N
XLogP-1.36
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[ethyl(2-hydroxyethyl)amino]ethanol;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

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid (CID 19968816) is 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid is CCN(CCO)CCO.O=S(=O)(O)O.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid?
The InChIKey is DACZNTKLSCLRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.H2O4S/c1-2-7(3-5-8)4-6-9;1-5(2,3)4/h8-9H,2-6H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid?
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid has a molecular weight of 231.27 g/mol, XLogP of -1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid is sourced from PubChem (CID 19968816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).