1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine

C14H22N2O2S — CID 23987033

IUPAC1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-4-19(17,18)16-9-7-15(8-10-16)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyPWMDRYYBCFBNLE-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.78
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine

1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine (PubChem CID 23987033) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
PubChem CID23987033
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-4-19(17,18)16-9-7-15(8-10-16)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyPWMDRYYBCFBNLE-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799630
1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 163357220
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
CID 173374498
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
N,N-diethyl-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)aniline
CID 113080714

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine (CID 23987033) is 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine?
The InChIKey is PWMDRYYBCFBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-19(17,18)16-9-7-15(8-10-16)14-6-5-12(2)11-13(14)3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine?
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine is sourced from PubChem (CID 23987033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).