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

C8H18N2O3S — CID 159425961

IUPACmethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESC.CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S.CH4/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-6H2,1-2H3;1H4
InChIKeyLQIXSDDKJOCOPU-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.25
Rot. Bonds1

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

methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 159425961) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Namemethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID159425961
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Namemethane;1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESC.CC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O3S.CH4/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-6H2,1-2H3;1H4
InChIKeyLQIXSDDKJOCOPU-UHFFFAOYSA-N
XLogP-0.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 159425961) is methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone is C.CC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is LQIXSDDKJOCOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.CH4/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-6H2,1-2H3;1H4.
What are the key properties of methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone?
methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 222.31 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159425961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).