1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine

C14H22N2O2S — CID 770603

IUPAC1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-10-8-15(9-11-16)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3
InChIKeyGWGCHYYNEVMUCZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.46
Rot. Bonds4

About 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine

1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine (PubChem CID 770603) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
PubChem CID770603
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-10-8-15(9-11-16)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3
InChIKeyGWGCHYYNEVMUCZ-UHFFFAOYSA-N
XLogP1.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 22208096
1-[(3-fluorophenyl)methylsulfonyl]-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 56513139
1-[(2-methylphenyl)methyl]-4-(3-propan-2-ylsulfonylpropyl)piperazine
CID 75426221
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772
1,3-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]sulfonylpyrimidine-2,4-dione
CID 26529141
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 37498592
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-[(2-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073947
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine (CID 770603) is 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine is CCS(=O)(=O)N1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine?
The InChIKey is GWGCHYYNEVMUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)16-10-8-15(9-11-16)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine?
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine has a molecular weight of 282.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 770603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).