4-methyl-1-methylsulfonylpiperazin-2-one

C6H12N2O3S — CID 146531325

IUPAC4-methyl-1-methylsulfonylpiperazin-2-one
SMILESCN1CCN(S(C)(=O)=O)C(=O)C1
InChIInChI=1S/C6H12N2O3S/c1-7-3-4-8(6(9)5-7)12(2,10)11/h3-5H2,1-2H3
InChIKeyCDAPTILAWULROJ-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.28
Rot. Bonds1

About 4-methyl-1-methylsulfonylpiperazin-2-one

4-methyl-1-methylsulfonylpiperazin-2-one (PubChem CID 146531325) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-methylsulfonylpiperazin-2-one
PubChem CID146531325
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name4-methyl-1-methylsulfonylpiperazin-2-one
SMILESCN1CCN(S(C)(=O)=O)C(=O)C1
InChIInChI=1S/C6H12N2O3S/c1-7-3-4-8(6(9)5-7)12(2,10)11/h3-5H2,1-2H3
InChIKeyCDAPTILAWULROJ-UHFFFAOYSA-N
XLogP-1.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Methylsulfonyl)piperazin-1-Yl]ethan-1-One
CID 20585914
N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 30464585
4-(Methylsulfonyl)piperazin-2-one
CID 13190468
2,2,2-Trifluoro-1-[4-(methanesulfonyl)piperazin-1-yl]ethan-1-one
CID 57357273
1-[4-(Trifluoromethylsulfonyl)piperazin-1-yl]ethanone
CID 126758715
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-Ethyl-4-(sulfanylmethyl)piperazine-2,3-dione
CID 18401480
1-Methyl-4-methylsulfonylpiperazin-2-one
CID 21345725
2-(4-Methylsulfonylpiperazin-1-yl)acetamide
CID 22200284
1-(4-Methylsulfonylpiperazin-1-yl)propan-1-one
CID 23069083

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonylpiperazin-2-one?
The IUPAC name of 4-methyl-1-methylsulfonylpiperazin-2-one (CID 146531325) is 4-methyl-1-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 4-methyl-1-methylsulfonylpiperazin-2-one?
The canonical SMILES for 4-methyl-1-methylsulfonylpiperazin-2-one is CN1CCN(S(C)(=O)=O)C(=O)C1.
What is the InChIKey of 4-methyl-1-methylsulfonylpiperazin-2-one?
The InChIKey is CDAPTILAWULROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-7-3-4-8(6(9)5-7)12(2,10)11/h3-5H2,1-2H3.
What are the key properties of 4-methyl-1-methylsulfonylpiperazin-2-one?
4-methyl-1-methylsulfonylpiperazin-2-one has a molecular weight of 192.24 g/mol, XLogP of -1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 146531325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).