2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol

C6H14O5S2 — CID 101405173

IUPAC2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol
SMILESO=S(CCO)CCS(=O)(=O)CCO
InChIInChI=1S/C6H14O5S2/c7-1-3-12(9)4-6-13(10,11)5-2-8/h7-8H,1-6H2
InChIKeyRHNJBUVRXYNKLX-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.87
Rot. Bonds7

About 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol

2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol (PubChem CID 101405173) has the molecular formula C6H14O5S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol
PubChem CID101405173
Molecular FormulaC6H14O5S2
Molecular Weight230.31 g/mol
Exact Mass230.03
IUPAC Name2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol
SMILESO=S(CCO)CCS(=O)(=O)CCO
InChIInChI=1S/C6H14O5S2/c7-1-3-12(9)4-6-13(10,11)5-2-8/h7-8H,1-6H2
InChIKeyRHNJBUVRXYNKLX-UHFFFAOYSA-N
XLogP-1.87
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol 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

lithium;carbanide;2-(2-hydroxyethylsulfonyl)ethanesulfinate
CID 162510810
2-(2-hydroxyethylsulfinyl)ethanol
CID 18330
2-(2-propylsulfonylethylsulfinyl)ethanamine
CID 106735657
2-(6-aminohexylsulfonyl)ethanol
CID 170917653
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
1-(2-hydroxyethylsulfonyl)propan-2-ol
CID 59405768
2-[3-(ethylamino)propylsulfonyl]ethanol
CID 19797796
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]ethanol
CID 158833694
amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium
CID 89099166
2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide
CID 87784993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol (CID 101405173) is 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol is O=S(CCO)CCS(=O)(=O)CCO.
What is the InChIKey of 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol?
The InChIKey is RHNJBUVRXYNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5S2/c7-1-3-12(9)4-6-13(10,11)5-2-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol?
2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol has a molecular weight of 230.31 g/mol, XLogP of -1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol is sourced from PubChem (CID 101405173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).