2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

C16H26N2O2S — CID 64979716

IUPAC2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CC(C)NCC2C)cc1
InChIInChI=1S/C16H26N2O2S/c1-12(2)9-15-5-7-16(8-6-15)21(19,20)18-11-13(3)17-10-14(18)4/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyCKENLWBZKDFOPO-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.26
Rot. Bonds4

About 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine

2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (PubChem CID 64979716) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
PubChem CID64979716
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CC(C)NCC2C)cc1
InChIInChI=1S/C16H26N2O2S/c1-12(2)9-15-5-7-16(8-6-15)21(19,20)18-11-13(3)17-10-14(18)4/h5-8,12-14,17H,9-11H2,1-4H3
InChIKeyCKENLWBZKDFOPO-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120717091
1-(benzenesulfonyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 82251756
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 64979870
2,6-dimethyl-4-[4-(2-methylpropyl)phenyl]sulfonylmorpholine
CID 17375832
(2S,5R)-1-[4-chloro-3-(iodomethyl)phenyl]sulfonyl-2,5-dimethylpiperazine
CID 89334298
(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine
CID 166595425
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
1-ethylsulfonyl-2,5-dimethylpiperazine
CID 64980469
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
N-methyl-1-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 115316524
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The IUPAC name of 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine (CID 64979716) is 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is CC(C)Cc1ccc(S(=O)(=O)N2CC(C)NCC2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
The InChIKey is CKENLWBZKDFOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)9-15-5-7-16(8-6-15)21(19,20)18-11-13(3)17-10-14(18)4/h5-8,12-14,17H,9-11H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine?
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine has a molecular weight of 310.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 64979716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).