cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol

C8H16O3S — CID 166439306

IUPACcis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol
SMILESCS(=O)(=O)[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C8H16O3S/c1-12(10,11)8-6-4-2-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyYOUOQQXGLHLVHT-JGVFFNPUSA-N
MW192.28 g/mol
LogP0.72
Rot. Bonds1

About cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol

cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol (PubChem CID 166439306) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol
PubChem CID166439306
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Namecis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol
SMILESCS(=O)(=O)[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C8H16O3S/c1-12(10,11)8-6-4-2-3-5-7(8)9/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyYOUOQQXGLHLVHT-JGVFFNPUSA-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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Related Compounds

[2-Hydroxyoctyl(dimethyl)-lambda4-sulfanyl] methanesulfonate
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2-Hydroxyoctyl(dimethyl)sulfanium;methanesulfonate
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1-(Methylsulphonyl)tetradecan-2-ol
CID 3020345
2-Methylsulfonylcycloheptan-1-ol
CID 62785331
2-(2-Cycloheptyloxyethylsulfonyl)ethanol
CID 71857018
Sulfone, 2-hydroxyoctyl t-butyl
CID 545154
Sulfone, 2-hydroxyhexyl t-butyl
CID 545310
Sulfoxide, 2-hydroxyoctyl t-butyl
CID 546471
1-Methylsulfonyloctan-2-ol
CID 15270509
1-Methylsulfinyltridecan-2-ol
CID 19855623
8-Methylsulfonyloctan-1-ol
CID 19894576
1-Methylsulfinyldodecan-2-ol
CID 19907004

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol?
The IUPAC name of cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol (CID 166439306) is cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol is CS(=O)(=O)[C@@H]1CCCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol?
The InChIKey is YOUOQQXGLHLVHT-JGVFFNPUSA-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/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol?
cis-(1S,2R)-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 cis-(1S,2R)-2-methylsulfonylcycloheptan-1-ol is sourced from PubChem (CID 166439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).