4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine

C14H22N2O3S — CID 110293209

IUPAC4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
SMILESCCS(=O)(=O)N1CCN(C)C(c2ccccc2OC)C1
InChIInChI=1S/C14H22N2O3S/c1-4-20(17,18)16-10-9-15(2)13(11-16)12-7-5-6-8-14(12)19-3/h5-8,13H,4,9-11H2,1-3H3
InChIKeyRDTXCIFTQDFQAD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.33
Rot. Bonds4

About 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine

4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine (PubChem CID 110293209) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
PubChem CID110293209
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine
SMILESCCS(=O)(=O)N1CCN(C)C(c2ccccc2OC)C1
InChIInChI=1S/C14H22N2O3S/c1-4-20(17,18)16-10-9-15(2)13(11-16)12-7-5-6-8-14(12)19-3/h5-8,13H,4,9-11H2,1-3H3
InChIKeyRDTXCIFTQDFQAD-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
(2S)-4-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenyl)-1-methylpiperazine
CID 125017271
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
CID 110258059
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
2,4-dimethoxy-6-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-1,3,5-triazine
CID 110090523

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine?
The IUPAC name of 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine (CID 110293209) is 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine.
What is the SMILES notation for 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine?
The canonical SMILES for 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine is CCS(=O)(=O)N1CCN(C)C(c2ccccc2OC)C1.
What is the InChIKey of 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine?
The InChIKey is RDTXCIFTQDFQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-20(17,18)16-10-9-15(2)13(11-16)12-7-5-6-8-14(12)19-3/h5-8,13H,4,9-11H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine?
4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(2-methoxyphenyl)-1-methylpiperazine is sourced from PubChem (CID 110293209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).