1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C22H30N2O2S — CID 110657731

IUPAC1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(C)N(Cc3ccccc3)C(C)C2)c(C)c1
InChIInChI=1S/C22H30N2O2S/c1-16-11-17(2)22(18(3)12-16)27(25,26)23-13-19(4)24(20(5)14-23)15-21-9-7-6-8-10-21/h6-12,19-20H,13-15H2,1-5H3
InChIKeyPPJUNLPHJHILOW-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.90
Rot. Bonds4

About 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 110657731) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID110657731
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(C)N(Cc3ccccc3)C(C)C2)c(C)c1
InChIInChI=1S/C22H30N2O2S/c1-16-11-17(2)22(18(3)12-16)27(25,26)23-13-19(4)24(20(5)14-23)15-21-9-7-6-8-10-21/h6-12,19-20H,13-15H2,1-5H3
InChIKeyPPJUNLPHJHILOW-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 110602203
4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658347
2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
CID 110658390
N-[4-(4-benzyl-3,5-dimethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 110657741
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
4-[[(2R,6S)-4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259778
1-[5-(4-benzyl-3,5-dimethylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110657750
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 110657731) is 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CC(C)N(Cc3ccccc3)C(C)C2)c(C)c1.
What is the InChIKey of 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is PPJUNLPHJHILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-16-11-17(2)22(18(3)12-16)27(25,26)23-13-19(4)24(20(5)14-23)15-21-9-7-6-8-10-21/h6-12,19-20H,13-15H2,1-5H3.
What are the key properties of 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 386.56 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110657731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).