4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol

C12H24N2O3S — CID 62992615

IUPAC4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
SMILESCC1CCC(O)C(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H24N2O3S/c1-10-3-4-12(15)11(9-10)13-5-7-14(8-6-13)18(2,16)17/h10-12,15H,3-9H2,1-2H3
InChIKeyQJRVWUBXKHYDRN-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.11
Rot. Bonds2

About 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol

4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 62992615) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID62992615
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol
SMILESCC1CCC(O)C(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H24N2O3S/c1-10-3-4-12(15)11(9-10)13-5-7-14(8-6-13)18(2,16)17/h10-12,15H,3-9H2,1-2H3
InChIKeyQJRVWUBXKHYDRN-UHFFFAOYSA-N
XLogP0.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol (CID 62992615) is 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol is CC1CCC(O)C(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is QJRVWUBXKHYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-3-4-12(15)11(9-10)13-5-7-14(8-6-13)18(2,16)17/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 62992615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).