ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate

C16H20N4O4S2 — CID 113029334

IUPACethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)nc2)CC1
InChIInChI=1S/C16H20N4O4S2/c1-2-24-16(21)20-9-7-19(8-10-20)13-5-6-14(17-12-13)18-26(22,23)15-4-3-11-25-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,18)
InChIKeyPOYIEXCEWIRQLT-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.22
Rot. Bonds5

About ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 113029334) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID113029334
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Nameethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)nc2)CC1
InChIInChI=1S/C16H20N4O4S2/c1-2-24-16(21)20-9-7-19(8-10-20)13-5-6-14(17-12-13)18-26(22,23)15-4-3-11-25-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,18)
InChIKeyPOYIEXCEWIRQLT-UHFFFAOYSA-N
XLogP2.22
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029329
ethyl 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 25405160
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026209
ethyl 4-[4-piperazin-1-yl-3-(thiophen-2-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 46333344
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113025912
5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113026023
N-(5-piperidin-1-yl-2-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78899574
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113026031
ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate
CID 108782501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate (CID 113029334) is ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccs3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is POYIEXCEWIRQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-2-24-16(21)20-9-7-19(8-10-20)13-5-6-14(17-12-13)18-26(22,23)15-4-3-11-25-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,18).
What are the key properties of ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 113029334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).