1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine

C14H22N2O2S — CID 2171776

IUPAC1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-4-19(17,18)16-10-8-15(9-11-16)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11H2,1-3H3
InChIKeyQCDPOZNBEGJYFS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.78
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine

1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine (PubChem CID 2171776) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine
PubChem CID2171776
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C14H22N2O2S/c1-4-19(17,18)16-10-8-15(9-11-16)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11H2,1-3H3
InChIKeyQCDPOZNBEGJYFS-UHFFFAOYSA-N
XLogP1.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine (CID 2171776) is 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine?
The InChIKey is QCDPOZNBEGJYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-19(17,18)16-10-8-15(9-11-16)14-7-5-6-12(2)13(14)3/h5-7H,4,8-11H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine?
1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-ethylsulfonylpiperazine is sourced from PubChem (CID 2171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).