1-methyl-4-methylsulfonylpiperazin-2-one

C6H12N2O3S — CID 21345725

IUPAC1-methyl-4-methylsulfonylpiperazin-2-one
SMILESCN1CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C6H12N2O3S/c1-7-3-4-8(5-6(7)9)12(2,10)11/h3-5H2,1-2H3
InChIKeyMCXZWJGFGUHXBC-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.28
Rot. Bonds1

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

1-methyl-4-methylsulfonylpiperazin-2-one (PubChem CID 21345725) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-methylsulfonylpiperazin-2-one
PubChem CID21345725
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name1-methyl-4-methylsulfonylpiperazin-2-one
SMILESCN1CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C6H12N2O3S/c1-7-3-4-8(5-6(7)9)12(2,10)11/h3-5H2,1-2H3
InChIKeyMCXZWJGFGUHXBC-UHFFFAOYSA-N
XLogP-1.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonylpiperazin-2-one?
The IUPAC name of 1-methyl-4-methylsulfonylpiperazin-2-one (CID 21345725) is 1-methyl-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-methyl-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 1-methyl-4-methylsulfonylpiperazin-2-one is CN1CCN(S(C)(=O)=O)CC1=O.
What is the InChIKey of 1-methyl-4-methylsulfonylpiperazin-2-one?
The InChIKey is MCXZWJGFGUHXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-7-3-4-8(5-6(7)9)12(2,10)11/h3-5H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonylpiperazin-2-one?
1-methyl-4-methylsulfonylpiperazin-2-one has a molecular weight of 192.24 g/mol, XLogP of -1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 21345725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).