1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine

C14H22N2O2S — CID 63595431

IUPAC1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine
SMILESCCS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1
InChIInChI=1S/C14H22N2O2S/c1-4-19(17,18)13-7-5-12(6-8-13)16-10-9-15-11-14(16,2)3/h5-8,15H,4,9-11H2,1-3H3
InChIKeyYAIKPLMXRQAOQD-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine

1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine (PubChem CID 63595431) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine
PubChem CID63595431
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine
SMILESCCS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1
InChIInChI=1S/C14H22N2O2S/c1-4-19(17,18)13-7-5-12(6-8-13)16-10-9-15-11-14(16,2)3/h5-8,15H,4,9-11H2,1-3H3
InChIKeyYAIKPLMXRQAOQD-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine (CID 63595431) is 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine is CCS(=O)(=O)c1ccc(N2CCNCC2(C)C)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine?
The InChIKey is YAIKPLMXRQAOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-19(17,18)13-7-5-12(6-8-13)16-10-9-15-11-14(16,2)3/h5-8,15H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine?
1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 63595431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).