1-ethylsulfonyl-4-(2-methylphenyl)piperazine

C13H20N2O2S — CID 6468889

IUPAC1-ethylsulfonyl-4-(2-methylphenyl)piperazine
SMILESCCS(=O)(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)15-10-8-14(9-11-15)13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3
InChIKeyHDNAQHAUWNUASF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.47
Rot. Bonds3

About 1-ethylsulfonyl-4-(2-methylphenyl)piperazine

1-ethylsulfonyl-4-(2-methylphenyl)piperazine (PubChem CID 6468889) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(2-methylphenyl)piperazine
PubChem CID6468889
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-ethylsulfonyl-4-(2-methylphenyl)piperazine
SMILESCCS(=O)(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)15-10-8-14(9-11-15)13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3
InChIKeyHDNAQHAUWNUASF-UHFFFAOYSA-N
XLogP1.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040305
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
1-(2,3-dimethylphenyl)-4-(3-methylbutylsulfonyl)piperazine
CID 56549598
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
2-[7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanylidene]ethanamine
CID 70050352
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
2,3-dimethyl-5-[4-(2-methylphenyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione
CID 170909478

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(2-methylphenyl)piperazine (CID 6468889) is 1-ethylsulfonyl-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(2-methylphenyl)piperazine is CCS(=O)(=O)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(2-methylphenyl)piperazine?
The InChIKey is HDNAQHAUWNUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-18(16,17)15-10-8-14(9-11-15)13-7-5-4-6-12(13)2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-(2-methylphenyl)piperazine?
1-ethylsulfonyl-4-(2-methylphenyl)piperazine has a molecular weight of 268.38 g/mol, XLogP of 1.47, 3 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)piperazine is sourced from PubChem (CID 6468889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).