trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol

C7H14O3S — CID 96581730

IUPACtrans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyQXLWUYPXQYJLNB-BQBZGAKWSA-N
MW178.25 g/mol
LogP0.33
Rot. Bonds1

About trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol

trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol (PubChem CID 96581730) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
PubChem CID96581730
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Nametrans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyQXLWUYPXQYJLNB-BQBZGAKWSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylsulfonyl)cyclohexanol
CID 40152067
3-Methanesulfonylcyclohexan-1-ol
CID 64717588
3-(Methylsulfanyl)cyclohexan-1-ol
CID 123410545
3-Methanesulfinylcyclohexan-1-ol
CID 132342169
2-Fluoro-4-methylsulfonylcyclohexan-1-ol
CID 91067853
cis-(1S,2R)-2-methylsulfonylcyclohexan-1-ol
CID 13859915
3-(Fluoromethylsulfonyl)cyclohexan-1-ol
CID 84720754
4-(Fluoromethylsulfonyl)cyclohexan-1-ol
CID 84720755
trans-(1S,2S)-2-(2-hydroxyethylsulfonyl)cyclohexan-1-ol
CID 21582032
2-Methanesulfonylcyclohexan-1-ol
CID 13859914
6-Methanesulfonyl-hexan-1-ol
CID 21886622
3-Octadecylsulfonylcyclohexan-1-ol
CID 53761136

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?
The IUPAC name of trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol (CID 96581730) is trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?
The InChIKey is QXLWUYPXQYJLNB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol?
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 96581730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).