1-(2-ethylphenyl)sulfonyl-3-methylpiperazine

C13H20N2O2S — CID 120710396

IUPAC1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
SMILESCCc1ccccc1S(=O)(=O)N1CCNC(C)C1
InChIInChI=1S/C13H20N2O2S/c1-3-12-6-4-5-7-13(12)18(16,17)15-9-8-14-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyNSXKYWITQFLJRE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.23
Rot. Bonds3

About 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine

1-(2-ethylphenyl)sulfonyl-3-methylpiperazine (PubChem CID 120710396) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
PubChem CID120710396
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
SMILESCCc1ccccc1S(=O)(=O)N1CCNC(C)C1
InChIInChI=1S/C13H20N2O2S/c1-3-12-6-4-5-7-13(12)18(16,17)15-9-8-14-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyNSXKYWITQFLJRE-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
3-methyl-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119981791
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-(3-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120710424
1-(2-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120706008
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
1-(2-ethylphenyl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120716572
2-fluoro-6-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 104976623
3-methyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119982077
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-benzylsulfonyl-3-methylpiperazine
CID 65449944

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine (CID 120710396) is 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine is CCc1ccccc1S(=O)(=O)N1CCNC(C)C1.
What is the InChIKey of 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine?
The InChIKey is NSXKYWITQFLJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-12-6-4-5-7-13(12)18(16,17)15-9-8-14-11(2)10-15/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine?
1-(2-ethylphenyl)sulfonyl-3-methylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 120710396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).