1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine

C15H24N2O4S2 — CID 95753287

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H24N2O4S2/c1-13-4-5-14(2)15(12-13)23(20,21)17-8-6-16(7-9-17)10-11-22(3,18)19/h4-5,12H,6-11H2,1-3H3
InChIKeyZDPXUEJXPDIRJP-UHFFFAOYSA-N
MW360.50 g/mol
LogP0.65
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine

1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine (PubChem CID 95753287) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
PubChem CID95753287
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H24N2O4S2/c1-13-4-5-14(2)15(12-13)23(20,21)17-8-6-16(7-9-17)10-11-22(3,18)19/h4-5,12H,6-11H2,1-3H3
InChIKeyZDPXUEJXPDIRJP-UHFFFAOYSA-N
XLogP0.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine 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-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8694159
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 46574009
1-(2,5-dimethylphenyl)sulfonyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepane;hydrochloride
CID 71790611
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine (CID 95753287) is 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is ZDPXUEJXPDIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-13-4-5-14(2)15(12-13)23(20,21)17-8-6-16(7-9-17)10-11-22(3,18)19/h4-5,12H,6-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine?
1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 360.50 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 95753287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).