4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one

C13H19N3O3S — CID 107328595

IUPAC4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one
SMILESCNc1cc(C)c(S(=O)(=O)N2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C13H19N3O3S/c1-9-6-11(14-3)7-10(2)13(9)20(18,19)16-5-4-15-12(17)8-16/h6-7,14H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyDGKJWGUCZFXRDI-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.47
Rot. Bonds3

About 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one

4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one (PubChem CID 107328595) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one
PubChem CID107328595
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one
SMILESCNc1cc(C)c(S(=O)(=O)N2CCNC(=O)C2)c(C)c1
InChIInChI=1S/C13H19N3O3S/c1-9-6-11(14-3)7-10(2)13(9)20(18,19)16-5-4-15-12(17)8-16/h6-7,14H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyDGKJWGUCZFXRDI-UHFFFAOYSA-N
XLogP0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-2-one
CID 62896505
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-1,4-diazepan-5-one
CID 107327121
N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 107328424
N,3,5-trimethyl-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 107328906
4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 62144746
4-(2-methyl-4-nitrophenyl)sulfonylpiperazin-2-one
CID 37496718
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
3,5-dimethyl-4-(3-oxopiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 81427909
4-[5-(methylamino)-4-nitrothiophen-2-yl]sulfonylpiperazin-2-one
CID 80747006
4-(3,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-2-one
CID 60681286
4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one
CID 43506960

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one (CID 107328595) is 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one is CNc1cc(C)c(S(=O)(=O)N2CCNC(=O)C2)c(C)c1.
What is the InChIKey of 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one?
The InChIKey is DGKJWGUCZFXRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-6-11(14-3)7-10(2)13(9)20(18,19)16-5-4-15-12(17)8-16/h6-7,14H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one?
4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dimethyl-4-(methylamino)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 107328595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).