1-methylsulfonylcyclohexan-1-ol

C7H14O3S — CID 91081650

IUPAC1-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1(O)CCCCC1
InChIInChI=1S/C7H14O3S/c1-11(9,10)7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
InChIKeyMVVCFZRIYSBGDM-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.68
Rot. Bonds1

About 1-methylsulfonylcyclohexan-1-ol

1-methylsulfonylcyclohexan-1-ol (PubChem CID 91081650) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methylsulfonylcyclohexan-1-ol
PubChem CID91081650
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name1-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1(O)CCCCC1
InChIInChI=1S/C7H14O3S/c1-11(9,10)7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
InChIKeyMVVCFZRIYSBGDM-UHFFFAOYSA-N
XLogP0.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonylcycloheptan-1-amine
CID 62473091
N-methyl-1-methylsulfonylcyclopentane-1-carboxamide
CID 130605374
(1-hydroxycyclohexyl)methyl methanesulfonate
CID 90762555
2-methylsulfonylspiro[3.6]decane-2-carboxylic acid
CID 65008025
N-methyl-1-(methylsulfonylmethyl)cyclohexan-1-amine
CID 70997022
lithium 1-methylcyclopentan-1-ol
CID 18764027
cyclohexane-1,1-diol;methanol
CID 159463727
1-(1-hydroxycyclopentyl)cycloheptan-1-ol
CID 10081454
cyclononane-1,1-diol
CID 23151649
cyclopentadecane-1,1-diol
CID 90867480
cerium;1-methylcyclohexan-1-ol
CID 146687678
(1-methylcyclohexyl)sulfamic acid
CID 102317310

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 1-methylsulfonylcyclohexan-1-ol (CID 91081650) is 1-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 1-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 1-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)C1(O)CCCCC1.
What is the InChIKey of 1-methylsulfonylcyclohexan-1-ol?
The InChIKey is MVVCFZRIYSBGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-11(9,10)7(8)5-3-2-4-6-7/h8H,2-6H2,1H3.
What are the key properties of 1-methylsulfonylcyclohexan-1-ol?
1-methylsulfonylcyclohexan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 91081650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).