(2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate

C14H18N2O3S — CID 2356179

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O3S/c1-20-13-11(6-5-7-15-13)14(18)19-10-12(17)16-8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3
InChIKeyMEYWMKFVYCGODU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate (PubChem CID 2356179) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate
PubChem CID2356179
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O3S/c1-20-13-11(6-5-7-15-13)14(18)19-10-12(17)16-8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3
InChIKeyMEYWMKFVYCGODU-UHFFFAOYSA-N
XLogP1.97
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate (CID 2356179) is (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate is CSc1ncccc1C(=O)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate?
The InChIKey is MEYWMKFVYCGODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20-13-11(6-5-7-15-13)14(18)19-10-12(17)16-8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 2356179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).