1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one

C14H20N2O3S — CID 110708137

IUPAC1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)c(C)c1
InChIInChI=1S/C14H20N2O3S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-6-5-15(4)13(17)9-16/h7-8H,5-6,9H2,1-4H3
InChIKeyAFLHFIAOIIEJLA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.07
Rot. Bonds2

About 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one

1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one (PubChem CID 110708137) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
PubChem CID110708137
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)c(C)c1
InChIInChI=1S/C14H20N2O3S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-6-5-15(4)13(17)9-16/h7-8H,5-6,9H2,1-4H3
InChIKeyAFLHFIAOIIEJLA-UHFFFAOYSA-N
XLogP1.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one (CID 110708137) is 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one is Cc1cc(C)c(S(=O)(=O)N2CCN(C)C(=O)C2)c(C)c1.
What is the InChIKey of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one?
The InChIKey is AFLHFIAOIIEJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-7-11(2)14(12(3)8-10)20(18,19)16-6-5-15(4)13(17)9-16/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one?
1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one has a molecular weight of 296.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110708137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).