1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone

C8H16N2O3S — CID 61340292

IUPAC1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone
SMILESCN1CCN(C(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-9-3-5-10(6-4-9)8(11)7-14(2,12)13/h3-7H2,1-2H3
InChIKeyLSYLHJKTSATHPV-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.20
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone

1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone (PubChem CID 61340292) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone
PubChem CID61340292
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone
SMILESCN1CCN(C(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-9-3-5-10(6-4-9)8(11)7-14(2,12)13/h3-7H2,1-2H3
InChIKeyLSYLHJKTSATHPV-UHFFFAOYSA-N
XLogP-1.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone (CID 61340292) is 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone is CN1CCN(C(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone?
The InChIKey is LSYLHJKTSATHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-9-3-5-10(6-4-9)8(11)7-14(2,12)13/h3-7H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone?
1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone has a molecular weight of 220.29 g/mol, XLogP of -1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 61340292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).