1-methyl-4-methylsulfonylpiperazine-2,3-dione

C6H10N2O4S — CID 118584703

IUPAC1-methyl-4-methylsulfonylpiperazine-2,3-dione
SMILESCN1CCN(S(C)(=O)=O)C(=O)C1=O
InChIInChI=1S/C6H10N2O4S/c1-7-3-4-8(13(2,11)12)6(10)5(7)9/h3-4H2,1-2H3
InChIKeyKIGMGSBQIJZMFS-UHFFFAOYSA-N
MW206.22 g/mol
LogP-1.75
Rot. Bonds1

About 1-methyl-4-methylsulfonylpiperazine-2,3-dione

1-methyl-4-methylsulfonylpiperazine-2,3-dione (PubChem CID 118584703) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-methylsulfonylpiperazine-2,3-dione
PubChem CID118584703
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name1-methyl-4-methylsulfonylpiperazine-2,3-dione
SMILESCN1CCN(S(C)(=O)=O)C(=O)C1=O
InChIInChI=1S/C6H10N2O4S/c1-7-3-4-8(13(2,11)12)6(10)5(7)9/h3-4H2,1-2H3
InChIKeyKIGMGSBQIJZMFS-UHFFFAOYSA-N
XLogP-1.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(Methylsulfonyl)piperazin-1-Yl]ethan-1-One
CID 20585914
4-(Methylsulfonyl)piperazin-2-one
CID 13190468
2,2,2-Trifluoro-1-[4-(methanesulfonyl)piperazin-1-yl]ethan-1-one
CID 57357273
1,4-Bis(methylsulfonyl)piperazin-2-one
CID 600837
N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 49070412
2,2-Difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103514727
1-Methyl-4-methylsulfonylpiperazin-2-one
CID 21345725
2-(4-Methylsulfonylpiperazin-1-yl)acetamide
CID 22200284
2-Amino-1-(4-(methylsulfonyl)piperazin-1-yl)ethan-1-one
CID 28269919
N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 28708791
1-Methylsulfonylpiperazin-2-one
CID 53893468
N,N-dimethyl-2-[methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
CID 55641578

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonylpiperazine-2,3-dione?
The IUPAC name of 1-methyl-4-methylsulfonylpiperazine-2,3-dione (CID 118584703) is 1-methyl-4-methylsulfonylpiperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-methylsulfonylpiperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-methylsulfonylpiperazine-2,3-dione is CN1CCN(S(C)(=O)=O)C(=O)C1=O.
What is the InChIKey of 1-methyl-4-methylsulfonylpiperazine-2,3-dione?
The InChIKey is KIGMGSBQIJZMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-7-3-4-8(13(2,11)12)6(10)5(7)9/h3-4H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonylpiperazine-2,3-dione?
1-methyl-4-methylsulfonylpiperazine-2,3-dione has a molecular weight of 206.22 g/mol, XLogP of -1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonylpiperazine-2,3-dione is sourced from PubChem (CID 118584703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).