2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one

C12H22N2O3S — CID 55133325

IUPAC2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCS(=O)(=O)N1CCN(CC2CCCCC2=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15/h11H,2-10H2,1H3
InChIKeyHKMKIDYXILCRJH-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.32
Rot. Bonds3

About 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one

2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one (PubChem CID 55133325) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
PubChem CID55133325
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCS(=O)(=O)N1CCN(CC2CCCCC2=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15/h11H,2-10H2,1H3
InChIKeyHKMKIDYXILCRJH-UHFFFAOYSA-N
XLogP0.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one (CID 55133325) is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one is CS(=O)(=O)N1CCN(CC2CCCCC2=O)CC1.
What is the InChIKey of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is HKMKIDYXILCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15/h11H,2-10H2,1H3.
What are the key properties of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one?
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 274.39 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 55133325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).