2-(ethylamino)ethanol;methanesulfonic acid

C5H15NO4S — CID 20512878

IUPAC2-(ethylamino)ethanol;methanesulfonic acid
SMILESCCNCCO.CS(=O)(=O)O
InChIInChI=1S/C4H11NO.CH4O3S/c1-2-5-3-4-6;1-5(2,3)4/h5-6H,2-4H2,1H3;1H3,(H,2,3,4)
InChIKeyMVGMXOKQYBBSKC-UHFFFAOYSA-N
MW185.24 g/mol
LogP-0.91
Rot. Bonds3

About 2-(ethylamino)ethanol;methanesulfonic acid

2-(ethylamino)ethanol;methanesulfonic acid (PubChem CID 20512878) has the molecular formula C5H15NO4S and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-(ethylamino)ethanol;methanesulfonic acid.

Molecular Properties

Compound Name2-(ethylamino)ethanol;methanesulfonic acid
PubChem CID20512878
Molecular FormulaC5H15NO4S
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC Name2-(ethylamino)ethanol;methanesulfonic acid
SMILESCCNCCO.CS(=O)(=O)O
InChIInChI=1S/C4H11NO.CH4O3S/c1-2-5-3-4-6;1-5(2,3)4/h5-6H,2-4H2,1H3;1H3,(H,2,3,4)
InChIKeyMVGMXOKQYBBSKC-UHFFFAOYSA-N
XLogP-0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)ethanol;methanesulfonic 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-(ethylamino)ethanol;methanesulfonic acid?
The IUPAC name of 2-(ethylamino)ethanol;methanesulfonic acid (CID 20512878) is 2-(ethylamino)ethanol;methanesulfonic acid.
What is the SMILES notation for 2-(ethylamino)ethanol;methanesulfonic acid?
The canonical SMILES for 2-(ethylamino)ethanol;methanesulfonic acid is CCNCCO.CS(=O)(=O)O.
What is the InChIKey of 2-(ethylamino)ethanol;methanesulfonic acid?
The InChIKey is MVGMXOKQYBBSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH4O3S/c1-2-5-3-4-6;1-5(2,3)4/h5-6H,2-4H2,1H3;1H3,(H,2,3,4).
What are the key properties of 2-(ethylamino)ethanol;methanesulfonic acid?
2-(ethylamino)ethanol;methanesulfonic acid has a molecular weight of 185.24 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanol;methanesulfonic acid is sourced from PubChem (CID 20512878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).