ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate

C11H23N3O4S — CID 114464913

IUPACethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CC(CC)NCC1CC
InChIInChI=1S/C11H23N3O4S/c1-4-9-8-14(10(5-2)7-12-9)19(16,17)13-11(15)18-6-3/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyIXESMSQPVHNAHV-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.44
Rot. Bonds5

About ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate

ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate (PubChem CID 114464913) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate
PubChem CID114464913
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Nameethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CC(CC)NCC1CC
InChIInChI=1S/C11H23N3O4S/c1-4-9-8-14(10(5-2)7-12-9)19(16,17)13-11(15)18-6-3/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyIXESMSQPVHNAHV-UHFFFAOYSA-N
XLogP0.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate 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

2,5-diethyl-N-methylpiperazine-1-sulfonamide
CID 114810900
1-(difluoromethylsulfonyl)-2,5-diethylpiperazine
CID 64978816
N,N,2,5-tetraethylpiperazine-1-sulfonamide
CID 64978285
ethyl N-[3-(bromomethyl)morpholin-4-yl]sulfonylcarbamate
CID 114466959
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 64978298
ethyl N-[2-(chloromethyl)piperidin-1-yl]sulfonylcarbamate
CID 114466212
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
CID 64978568
1-(ethoxycarbonylsulfamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776352
ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
CID 114464428
2,5-diethyl-1-(4,4,4-trifluorobutylsulfonyl)piperazine
CID 83059996
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-diethylpiperazine
CID 64978780

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate?
The IUPAC name of ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate (CID 114464913) is ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate?
The canonical SMILES for ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CC(CC)NCC1CC.
What is the InChIKey of ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate?
The InChIKey is IXESMSQPVHNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-4-9-8-14(10(5-2)7-12-9)19(16,17)13-11(15)18-6-3/h9-10,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate?
ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate has a molecular weight of 293.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,5-diethylpiperazin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 114464913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).