2-(2-hydroxyethylamino)ethanol;sulfur dioxide

C4H11NO4S — CID 6454530

IUPAC2-(2-hydroxyethylamino)ethanol;sulfur dioxide
SMILESO=S=O.OCCNCCO
InChIInChI=1S/C4H11NO2.O2S/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;
InChIKeyJJNBUSRNUXDKBZ-UHFFFAOYSA-N
MW169.20 g/mol
LogP-2.11
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol;sulfur dioxide

2-(2-hydroxyethylamino)ethanol;sulfur dioxide (PubChem CID 6454530) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;sulfur dioxide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;sulfur dioxide
PubChem CID6454530
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Name2-(2-hydroxyethylamino)ethanol;sulfur dioxide
SMILESO=S=O.OCCNCCO
InChIInChI=1S/C4H11NO2.O2S/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;
InChIKeyJJNBUSRNUXDKBZ-UHFFFAOYSA-N
XLogP-2.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
bis[2-(2-hydroxyethylamino)ethyl] propanedioate
CID 100927800
2-[(2-hydroxyethylamino)methylamino]ethanol
CID 13307728
but-2-enedioic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 173323087
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
CID 172719967
CID 172719967
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
2-(propylamino)ethanol;hydrobromide
CID 175488073
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;sulfur dioxide?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;sulfur dioxide (CID 6454530) is 2-(2-hydroxyethylamino)ethanol;sulfur dioxide.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;sulfur dioxide?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;sulfur dioxide is O=S=O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;sulfur dioxide?
The InChIKey is JJNBUSRNUXDKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.O2S/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;sulfur dioxide?
2-(2-hydroxyethylamino)ethanol;sulfur dioxide has a molecular weight of 169.20 g/mol, XLogP of -2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;sulfur dioxide is sourced from PubChem (CID 6454530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).