1-(4-methylsulfonylpiperazin-1-yl)ethanone

C7H14N2O3S — CID 20585914

IUPAC1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3
InChIKeyWGERBPBMMIAXAM-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.89
Rot. Bonds1

About 1-(4-methylsulfonylpiperazin-1-yl)ethanone

1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 20585914) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID20585914
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3
InChIKeyWGERBPBMMIAXAM-UHFFFAOYSA-N
XLogP-0.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 20585914) is 1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)ethanone is CC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is WGERBPBMMIAXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)ethanone?
1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 206.27 g/mol, XLogP of -0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20585914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).