2-cyclohexylsulfonyl-2-methylpropan-1-ol

C10H20O3S — CID 116855289

IUPAC2-cyclohexylsulfonyl-2-methylpropan-1-ol
SMILESCC(C)(CO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20O3S/c1-10(2,8-11)14(12,13)9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyGDPKOXSPBGETMZ-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.50
Rot. Bonds3

About 2-cyclohexylsulfonyl-2-methylpropan-1-ol

2-cyclohexylsulfonyl-2-methylpropan-1-ol (PubChem CID 116855289) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-2-methylpropan-1-ol
PubChem CID116855289
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-cyclohexylsulfonyl-2-methylpropan-1-ol
SMILESCC(C)(CO)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20O3S/c1-10(2,8-11)14(12,13)9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyGDPKOXSPBGETMZ-UHFFFAOYSA-N
XLogP1.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-cyclopentylsulfonyl-2-methylpropanenitrile
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1-cyclopentylsulfonyl-2-methylpropan-2-ol
CID 111435418
cyclooctanesulfonyl iodide
CID 22935862
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
1-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)methanesulfonamide
CID 61453787
[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
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3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-2-methylpropan-1-ol?
The IUPAC name of 2-cyclohexylsulfonyl-2-methylpropan-1-ol (CID 116855289) is 2-cyclohexylsulfonyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-cyclohexylsulfonyl-2-methylpropan-1-ol?
The canonical SMILES for 2-cyclohexylsulfonyl-2-methylpropan-1-ol is CC(C)(CO)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-2-methylpropan-1-ol?
The InChIKey is GDPKOXSPBGETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-10(2,8-11)14(12,13)9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexylsulfonyl-2-methylpropan-1-ol?
2-cyclohexylsulfonyl-2-methylpropan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-2-methylpropan-1-ol is sourced from PubChem (CID 116855289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).