2-(2-methylpropylsulfonyl)ethanol

C6H14O3S — CID 22979545

IUPAC2-(2-methylpropylsulfonyl)ethanol
SMILESCC(C)CS(=O)(=O)CCO
InChIInChI=1S/C6H14O3S/c1-6(2)5-10(8,9)4-3-7/h6-7H,3-5H2,1-2H3
InChIKeyUQXRSMJOLZKFER-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.05
Rot. Bonds4

About 2-(2-methylpropylsulfonyl)ethanol

2-(2-methylpropylsulfonyl)ethanol (PubChem CID 22979545) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)ethanol
PubChem CID22979545
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name2-(2-methylpropylsulfonyl)ethanol
SMILESCC(C)CS(=O)(=O)CCO
InChIInChI=1S/C6H14O3S/c1-6(2)5-10(8,9)4-3-7/h6-7H,3-5H2,1-2H3
InChIKeyUQXRSMJOLZKFER-UHFFFAOYSA-N
XLogP0.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethylsulfonyl)propan-2-ol
CID 59405768
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
1-bromo-4-(2-methylpropylsulfonyl)butane
CID 43444502
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
1-bromo-9-(2-methylpropylsulfonyl)nonane
CID 105343521
1-chloro-5-(2-methylpropylsulfonyl)pentane
CID 43444500
2-methyl-1-(2-sulfonatosulfanylethylsulfonyl)propane
CID 3756173
N-[2-(2-methylpropylsulfonyl)ethyl]-2-methylsulfonylethanamine
CID 106512902
1-(2-hydroxyethylsulfonyl)ethanol
CID 154214581
(2R)-4-methyl-2-[3-(2-methylpropylsulfonyl)propanoylamino]pentanoic acid
CID 119363310
2,2-dimethyl-4-(2-methylpropylsulfonyl)butan-1-amine
CID 65257088
2-(2-amino-2-methylpropyl)sulfonylethanol;hydrochloride
CID 86645512

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)ethanol?
The IUPAC name of 2-(2-methylpropylsulfonyl)ethanol (CID 22979545) is 2-(2-methylpropylsulfonyl)ethanol.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)ethanol?
The canonical SMILES for 2-(2-methylpropylsulfonyl)ethanol is CC(C)CS(=O)(=O)CCO.
What is the InChIKey of 2-(2-methylpropylsulfonyl)ethanol?
The InChIKey is UQXRSMJOLZKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-6(2)5-10(8,9)4-3-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfonyl)ethanol?
2-(2-methylpropylsulfonyl)ethanol has a molecular weight of 166.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)ethanol is sourced from PubChem (CID 22979545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).