ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate

C16H24N2O5S — CID 110818639

IUPACethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-5-23-16(19)17-6-8-18(9-7-17)24(20,21)15-13(3)10-12(2)11-14(15)22-4/h10-11H,5-9H2,1-4H3
InChIKeyGXPOQSFSDCPYII-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.77
Rot. Bonds4

About ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 110818639) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID110818639
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Nameethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-5-23-16(19)17-6-8-18(9-7-17)24(20,21)15-13(3)10-12(2)11-14(15)22-4/h10-11H,5-9H2,1-4H3
InChIKeyGXPOQSFSDCPYII-UHFFFAOYSA-N
XLogP1.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333
ethyl 4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 1085675
ethyl 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 6472834
(3S,4S)-1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxamide
CID 128977173
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
CID 120705993
(5-bromo-4-chloro-2-methoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 155969258
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate (CID 110818639) is ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2OC)CC1.
What is the InChIKey of ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is GXPOQSFSDCPYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-5-23-16(19)17-6-8-18(9-7-17)24(20,21)15-13(3)10-12(2)11-14(15)22-4/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 356.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 110818639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).