2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine

C21H28N2O2S — CID 110658390

IUPAC2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
SMILESCc1ccccc1S(=O)(=O)N1CC(C)N(CCc2ccccc2)C(C)C1
InChIInChI=1S/C21H28N2O2S/c1-17-9-7-8-12-21(17)26(24,25)22-15-18(2)23(19(3)16-22)14-13-20-10-5-4-6-11-20/h4-12,18-19H,13-16H2,1-3H3
InChIKeyZFFGDWQOWKAUFJ-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.32
Rot. Bonds5

About 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine

2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine (PubChem CID 110658390) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
PubChem CID110658390
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
SMILESCc1ccccc1S(=O)(=O)N1CC(C)N(CCc2ccccc2)C(C)C1
InChIInChI=1S/C21H28N2O2S/c1-17-9-7-8-12-21(17)26(24,25)22-15-18(2)23(19(3)16-22)14-13-20-10-5-4-6-11-20/h4-12,18-19H,13-16H2,1-3H3
InChIKeyZFFGDWQOWKAUFJ-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658347
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110657924
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 110658291
1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 110657731
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
1-benzyl-4-(3-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110657740
1-benzyl-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110393933

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine?
The IUPAC name of 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine (CID 110658390) is 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine?
The canonical SMILES for 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine is Cc1ccccc1S(=O)(=O)N1CC(C)N(CCc2ccccc2)C(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine?
The InChIKey is ZFFGDWQOWKAUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-17-9-7-8-12-21(17)26(24,25)22-15-18(2)23(19(3)16-22)14-13-20-10-5-4-6-11-20/h4-12,18-19H,13-16H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine?
2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine has a molecular weight of 372.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine is sourced from PubChem (CID 110658390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).