ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate

C17H26N2O5S — CID 6472617

IUPACethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C
InChIInChI=1S/C17H26N2O5S/c1-4-12-24-16-7-6-15(13-14(16)3)25(21,22)19-10-8-18(9-11-19)17(20)23-5-2/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyYEQZKJVLWUNZKY-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.25
Rot. Bonds6

About ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 6472617) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID6472617
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Nameethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C
InChIInChI=1S/C17H26N2O5S/c1-4-12-24-16-7-6-15(13-14(16)3)25(21,22)19-10-8-18(9-11-19)17(20)23-5-2/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyYEQZKJVLWUNZKY-UHFFFAOYSA-N
XLogP2.25
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3-methyl-4-propoxyphenyl)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-(6-propoxynaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 50876354
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
1-[4-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 47068804
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
ethyl 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 6472834
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
1-(4-heptoxy-3-methylphenyl)sulfonylpiperidine
CID 43845535
ethyl 4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 3871866
ethyl 4-(4-chloro-3-sulfamoylphenyl)sulfonylpiperazine-1-carboxylate
CID 10070234
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 6472617) is ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate is CCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C.
What is the InChIKey of ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is YEQZKJVLWUNZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-4-12-24-16-7-6-15(13-14(16)3)25(21,22)19-10-8-18(9-11-19)17(20)23-5-2/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 370.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 6472617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).