2-methylsulfonylcycloheptan-1-ol

C8H16O3S — CID 62785331

IUPAC2-methylsulfonylcycloheptan-1-ol
SMILESCS(=O)(=O)C1CCCCCC1O
InChIInChI=1S/C8H16O3S/c1-12(10,11)8-6-4-2-3-5-7(8)9/h7-9H,2-6H2,1H3
InChIKeyYOUOQQXGLHLVHT-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.72
Rot. Bonds1

About 2-methylsulfonylcycloheptan-1-ol

2-methylsulfonylcycloheptan-1-ol (PubChem CID 62785331) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-methylsulfonylcycloheptan-1-ol.

Molecular Properties

Compound Name2-methylsulfonylcycloheptan-1-ol
PubChem CID62785331
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2-methylsulfonylcycloheptan-1-ol
SMILESCS(=O)(=O)C1CCCCCC1O
InChIInChI=1S/C8H16O3S/c1-12(10,11)8-6-4-2-3-5-7(8)9/h7-9H,2-6H2,1H3
InChIKeyYOUOQQXGLHLVHT-UHFFFAOYSA-N
XLogP0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylcycloheptan-1-ol?
The IUPAC name of 2-methylsulfonylcycloheptan-1-ol (CID 62785331) is 2-methylsulfonylcycloheptan-1-ol.
What is the SMILES notation for 2-methylsulfonylcycloheptan-1-ol?
The canonical SMILES for 2-methylsulfonylcycloheptan-1-ol is CS(=O)(=O)C1CCCCCC1O.
What is the InChIKey of 2-methylsulfonylcycloheptan-1-ol?
The InChIKey is YOUOQQXGLHLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-12(10,11)8-6-4-2-3-5-7(8)9/h7-9H,2-6H2,1H3.
What are the key properties of 2-methylsulfonylcycloheptan-1-ol?
2-methylsulfonylcycloheptan-1-ol has a molecular weight of 192.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylcycloheptan-1-ol is sourced from PubChem (CID 62785331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).