2-(3-methylsulfonylpropyl)cycloheptan-1-ol

C11H22O3S — CID 63196152

IUPAC2-(3-methylsulfonylpropyl)cycloheptan-1-ol
SMILESCS(=O)(=O)CCCC1CCCCCC1O
InChIInChI=1S/C11H22O3S/c1-15(13,14)9-5-7-10-6-3-2-4-8-11(10)12/h10-12H,2-9H2,1H3
InChIKeyWOPXLTFQMGOTKB-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-methylsulfonylpropyl)cycloheptan-1-ol

2-(3-methylsulfonylpropyl)cycloheptan-1-ol (PubChem CID 63196152) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-methylsulfonylpropyl)cycloheptan-1-ol
PubChem CID63196152
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name2-(3-methylsulfonylpropyl)cycloheptan-1-ol
SMILESCS(=O)(=O)CCCC1CCCCCC1O
InChIInChI=1S/C11H22O3S/c1-15(13,14)9-5-7-10-6-3-2-4-8-11(10)12/h10-12H,2-9H2,1H3
InChIKeyWOPXLTFQMGOTKB-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropyl)cycloheptan-1-ol?
The IUPAC name of 2-(3-methylsulfonylpropyl)cycloheptan-1-ol (CID 63196152) is 2-(3-methylsulfonylpropyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-methylsulfonylpropyl)cycloheptan-1-ol?
The canonical SMILES for 2-(3-methylsulfonylpropyl)cycloheptan-1-ol is CS(=O)(=O)CCCC1CCCCCC1O.
What is the InChIKey of 2-(3-methylsulfonylpropyl)cycloheptan-1-ol?
The InChIKey is WOPXLTFQMGOTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-15(13,14)9-5-7-10-6-3-2-4-8-11(10)12/h10-12H,2-9H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropyl)cycloheptan-1-ol?
2-(3-methylsulfonylpropyl)cycloheptan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropyl)cycloheptan-1-ol is sourced from PubChem (CID 63196152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).