4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine

C22H30N2O2S — CID 110658347

IUPAC4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(C)N(CCc3ccccc3)C(C)C2)c1
InChIInChI=1S/C22H30N2O2S/c1-17-10-11-18(2)22(14-17)27(25,26)23-15-19(3)24(20(4)16-23)13-12-21-8-6-5-7-9-21/h5-11,14,19-20H,12-13,15-16H2,1-4H3
InChIKeyYMCOXOOVOTZFKV-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.63
Rot. Bonds5

About 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine

4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine (PubChem CID 110658347) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
PubChem CID110658347
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(C)N(CCc3ccccc3)C(C)C2)c1
InChIInChI=1S/C22H30N2O2S/c1-17-10-11-18(2)22(14-17)27(25,26)23-15-19(3)24(20(4)16-23)13-12-21-8-6-5-7-9-21/h5-11,14,19-20H,12-13,15-16H2,1-4H3
InChIKeyYMCOXOOVOTZFKV-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
CID 110658390
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
1-benzyl-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 110657731
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744
1-benzyl-4-(3-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110657740
4-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]sulfonylbenzoic acid
CID 45314761
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3R)-N,N-dibenzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780190

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine (CID 110658347) is 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine is Cc1ccc(C)c(S(=O)(=O)N2CC(C)N(CCc3ccccc3)C(C)C2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine?
The InChIKey is YMCOXOOVOTZFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17-10-11-18(2)22(14-17)27(25,26)23-15-19(3)24(20(4)16-23)13-12-21-8-6-5-7-9-21/h5-11,14,19-20H,12-13,15-16H2,1-4H3.
What are the key properties of 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine?
4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine has a molecular weight of 386.56 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine is sourced from PubChem (CID 110658347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).