1,4-bis(methylsulfonyl)piperazin-2-one

C6H12N2O5S2 — CID 600837

IUPAC1,4-bis(methylsulfonyl)piperazin-2-one
SMILESCS(=O)(=O)N1CCN(S(C)(=O)=O)C(=O)C1
InChIInChI=1S/C6H12N2O5S2/c1-14(10,11)7-3-4-8(6(9)5-7)15(2,12)13/h3-5H2,1-2H3
InChIKeyXWVHKEYUNUEPGA-UHFFFAOYSA-N
MW256.30 g/mol
LogP-1.95
Rot. Bonds2

About 1,4-bis(methylsulfonyl)piperazin-2-one

1,4-bis(methylsulfonyl)piperazin-2-one (PubChem CID 600837) has the molecular formula C6H12N2O5S2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1,4-bis(methylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name1,4-bis(methylsulfonyl)piperazin-2-one
PubChem CID600837
Molecular FormulaC6H12N2O5S2
Molecular Weight256.30 g/mol
Exact Mass256.02
IUPAC Name1,4-bis(methylsulfonyl)piperazin-2-one
SMILESCS(=O)(=O)N1CCN(S(C)(=O)=O)C(=O)C1
InChIInChI=1S/C6H12N2O5S2/c1-14(10,11)7-3-4-8(6(9)5-7)15(2,12)13/h3-5H2,1-2H3
InChIKeyXWVHKEYUNUEPGA-UHFFFAOYSA-N
XLogP-1.95
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-bis(methylsulfonyl)piperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Bis(propylsulfonyl)piperazine-2,5-dione
CID 145977825
1,4-Bis(butylsulfonyl)piperazine-2,5-dione
CID 145978296
1-[4-(Methylsulfonyl)piperazin-1-Yl]ethan-1-One
CID 20585914
4-(Methylsulfonyl)piperazin-2-one
CID 13190468
1-Methyl-4-methylsulfonylpiperazin-2-one
CID 21345725
2-Amino-1-(4-(methylsulfonyl)piperazin-1-yl)ethan-1-one
CID 28269919
1-Methylsulfonylpiperazin-2-one
CID 53893468
N,N-dimethyl-2-[methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
CID 55641578
CID 57585267
CID 57585267
4-Methylsulfonylpiperazin-1-id-2-one;rubidium(1+)
CID 58724189
1-Methanidyl-4-methylsulfonylpiperazin-2-one;yttrium
CID 59895912
4-Methylsulfonylpiperazine-2,6-dione
CID 66084034

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methylsulfonyl)piperazin-2-one?
The IUPAC name of 1,4-bis(methylsulfonyl)piperazin-2-one (CID 600837) is 1,4-bis(methylsulfonyl)piperazin-2-one.
What is the SMILES notation for 1,4-bis(methylsulfonyl)piperazin-2-one?
The canonical SMILES for 1,4-bis(methylsulfonyl)piperazin-2-one is CS(=O)(=O)N1CCN(S(C)(=O)=O)C(=O)C1.
What is the InChIKey of 1,4-bis(methylsulfonyl)piperazin-2-one?
The InChIKey is XWVHKEYUNUEPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S2/c1-14(10,11)7-3-4-8(6(9)5-7)15(2,12)13/h3-5H2,1-2H3.
What are the key properties of 1,4-bis(methylsulfonyl)piperazin-2-one?
1,4-bis(methylsulfonyl)piperazin-2-one has a molecular weight of 256.30 g/mol, XLogP of -1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methylsulfonyl)piperazin-2-one is sourced from PubChem (CID 600837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).