(2S)-2-cyclohexyl-2-ethylsulfonylethanol

C10H20O3S — CID 99991170

IUPAC(2S)-2-cyclohexyl-2-ethylsulfonylethanol
SMILESCCS(=O)(=O)[C@H](CO)C1CCCCC1
InChIInChI=1S/C10H20O3S/c1-2-14(12,13)10(8-11)9-6-4-3-5-7-9/h9-11H,2-8H2,1H3/t10-/m1/s1
InChIKeyFKPQXKJUUSKJFG-SNVBAGLBSA-N
MW220.33 g/mol
LogP1.36
Rot. Bonds4

About (2S)-2-cyclohexyl-2-ethylsulfonylethanol

(2S)-2-cyclohexyl-2-ethylsulfonylethanol (PubChem CID 99991170) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-ethylsulfonylethanol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-ethylsulfonylethanol
PubChem CID99991170
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name(2S)-2-cyclohexyl-2-ethylsulfonylethanol
SMILESCCS(=O)(=O)[C@H](CO)C1CCCCC1
InChIInChI=1S/C10H20O3S/c1-2-14(12,13)10(8-11)9-6-4-3-5-7-9/h9-11H,2-8H2,1H3/t10-/m1/s1
InChIKeyFKPQXKJUUSKJFG-SNVBAGLBSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-ethylsulfonylethanol?
The IUPAC name of (2S)-2-cyclohexyl-2-ethylsulfonylethanol (CID 99991170) is (2S)-2-cyclohexyl-2-ethylsulfonylethanol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-ethylsulfonylethanol?
The canonical SMILES for (2S)-2-cyclohexyl-2-ethylsulfonylethanol is CCS(=O)(=O)[C@H](CO)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-ethylsulfonylethanol?
The InChIKey is FKPQXKJUUSKJFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20O3S/c1-2-14(12,13)10(8-11)9-6-4-3-5-7-9/h9-11H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-ethylsulfonylethanol?
(2S)-2-cyclohexyl-2-ethylsulfonylethanol has a molecular weight of 220.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-ethylsulfonylethanol is sourced from PubChem (CID 99991170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).