1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine

C14H22N2O3S — CID 801476

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-11-9-12(2)14(10-13(11)19-4)20(17,18)16-7-5-15(3)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyXZPHFVMVZXMMPY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.25
Rot. Bonds3

About 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine

1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 801476) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
PubChem CID801476
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-11-9-12(2)14(10-13(11)19-4)20(17,18)16-7-5-15(3)6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyXZPHFVMVZXMMPY-UHFFFAOYSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine 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

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
1-[(4-Methoxy-2-methylphenyl)sulfonyl]-4-methylpiperazine
CID 1076577
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
[(5-Ethoxy-2,4-dimethylphenyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 2235525

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine (CID 801476) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine is COc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is XZPHFVMVZXMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-12(2)14(10-13(11)19-4)20(17,18)16-7-5-15(3)6-8-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 801476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).