4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one

C14H20N2O4S — CID 110708313

IUPAC4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2C)c(C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-9-12(20-4)5-6-13(10)21(18,19)16-8-7-15(3)14(17)11(16)2/h5-6,9,11H,7-8H2,1-4H3
InChIKeyKPDBBGULJVCXHO-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.85
Rot. Bonds3

About 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one

4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one (PubChem CID 110708313) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
PubChem CID110708313
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2C)c(C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-9-12(20-4)5-6-13(10)21(18,19)16-8-7-15(3)14(17)11(16)2/h5-6,9,11H,7-8H2,1-4H3
InChIKeyKPDBBGULJVCXHO-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
CID 110707842
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
4-(4-methoxy-2-methylphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314590
[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285952
4-(4-methoxy-2-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420094
(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124688177
3-(4-fluorophenyl)-4-(4-methoxy-2-methylphenyl)sulfonylmorpholine
CID 110663893
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
4-chloro-3-(2,4-dimethyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 110708343

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one (CID 110708313) is 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one is COc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2C)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one?
The InChIKey is KPDBBGULJVCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-12(20-4)5-6-13(10)21(18,19)16-8-7-15(3)14(17)11(16)2/h5-6,9,11H,7-8H2,1-4H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one?
4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one has a molecular weight of 312.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 110708313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).