2-(4-ethylphenyl)sulfonyl-1-methylpiperazine

C13H20N2O2S — CID 117037170

IUPAC2-(4-ethylphenyl)sulfonyl-1-methylpiperazine
SMILESCCc1ccc(S(=O)(=O)C2CNCCN2C)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-11-4-6-12(7-5-11)18(16,17)13-10-14-8-9-15(13)2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyPFEZIIOMBWRNDA-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.88
Rot. Bonds3

About 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine

2-(4-ethylphenyl)sulfonyl-1-methylpiperazine (PubChem CID 117037170) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfonyl-1-methylpiperazine
PubChem CID117037170
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(4-ethylphenyl)sulfonyl-1-methylpiperazine
SMILESCCc1ccc(S(=O)(=O)C2CNCCN2C)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-11-4-6-12(7-5-11)18(16,17)13-10-14-8-9-15(13)2/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeyPFEZIIOMBWRNDA-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
5-(4-ethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211625
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584
2-(4-ethylphenyl)sulfonylpiperidine
CID 117036513
1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956943
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
calcium bis(4-ethylbenzenesulfonate)
CID 87263292

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine?
The IUPAC name of 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine (CID 117037170) is 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine.
What is the SMILES notation for 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine?
The canonical SMILES for 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine is CCc1ccc(S(=O)(=O)C2CNCCN2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine?
The InChIKey is PFEZIIOMBWRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-11-4-6-12(7-5-11)18(16,17)13-10-14-8-9-15(13)2/h4-7,13-14H,3,8-10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine?
2-(4-ethylphenyl)sulfonyl-1-methylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfonyl-1-methylpiperazine is sourced from PubChem (CID 117037170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).