ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

C17H20N2O4S2 — CID 2813443

IUPACethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-17(20)13-8-11-19(12-9-13)25(21,22)16-7-6-15(24-16)14-5-3-4-10-18-14/h3-7,10,13H,2,8-9,11-12H2,1H3
InChIKeyZXTZVIZDAWLDNC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.77
Rot. Bonds5

About ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate (PubChem CID 2813443) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate
PubChem CID2813443
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Nameethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-17(20)13-8-11-19(12-9-13)25(21,22)16-7-6-15(24-16)14-5-3-4-10-18-14/h3-7,10,13H,2,8-9,11-12H2,1H3
InChIKeyZXTZVIZDAWLDNC-UHFFFAOYSA-N
XLogP2.77
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate (CID 2813443) is ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccccn3)s2)CC1.
What is the InChIKey of ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate?
The InChIKey is ZXTZVIZDAWLDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-2-23-17(20)13-8-11-19(12-9-13)25(21,22)16-7-6-15(24-16)14-5-3-4-10-18-14/h3-7,10,13H,2,8-9,11-12H2,1H3.
What are the key properties of ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2813443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).