ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate

C15H22N2O6S — CID 91669968

IUPACethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C15H22N2O6S/c1-4-23-15(18)16-7-9-17(10-8-16)24(19,20)14-6-5-12(21-2)11-13(14)22-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyPVZDZYOSPUAARS-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.17
Rot. Bonds5

About ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 91669968) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID91669968
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Nameethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1
InChIInChI=1S/C15H22N2O6S/c1-4-23-15(18)16-7-9-17(10-8-16)24(19,20)14-6-5-12(21-2)11-13(14)22-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyPVZDZYOSPUAARS-UHFFFAOYSA-N
XLogP1.17
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
ethyl 4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 1085675
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328604
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051902
ethyl 4-(2-bromo-4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 55565612
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 91669968) is ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1.
What is the InChIKey of ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is PVZDZYOSPUAARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-4-23-15(18)16-7-9-17(10-8-16)24(19,20)14-6-5-12(21-2)11-13(14)22-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 91669968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).