ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate

C14H22N4O4S — CID 113029329

IUPACethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NS(=O)(=O)CC)nc2)CC1
InChIInChI=1S/C14H22N4O4S/c1-3-22-14(19)18-9-7-17(8-10-18)12-5-6-13(15-11-12)16-23(20,21)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeyKMNVPTSBLOTLRC-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.12
Rot. Bonds5

About ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 113029329) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID113029329
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Nameethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NS(=O)(=O)CC)nc2)CC1
InChIInChI=1S/C14H22N4O4S/c1-3-22-14(19)18-9-7-17(8-10-18)12-5-6-13(15-11-12)16-23(20,21)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeyKMNVPTSBLOTLRC-UHFFFAOYSA-N
XLogP1.12
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-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-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026209
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate (CID 113029329) is ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)CC)nc2)CC1.
What is the InChIKey of ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is KMNVPTSBLOTLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-3-22-14(19)18-9-7-17(8-10-18)12-5-6-13(15-11-12)16-23(20,21)4-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 113029329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).