3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol

C11H22N2O3S — CID 79618785

IUPAC3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCN(C2CCCC(O)C2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-7-5-12(6-8-13)10-3-2-4-11(14)9-10/h10-11,14H,2-9H2,1H3
InChIKeyWDXVKVMGBIYOBG-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.13
Rot. Bonds2

About 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol

3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 79618785) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID79618785
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCN(C2CCCC(O)C2)CC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-7-5-12(6-8-13)10-3-2-4-11(14)9-10/h10-11,14H,2-9H2,1H3
InChIKeyWDXVKVMGBIYOBG-UHFFFAOYSA-N
XLogP-0.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol (CID 79618785) is 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol is CS(=O)(=O)N1CCN(C2CCCC(O)C2)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is WDXVKVMGBIYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)13-7-5-12(6-8-13)10-3-2-4-11(14)9-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 262.37 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 79618785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).