[2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

C14H18N2O3S — CID 2353407

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O3S/c1-20-13-11(7-4-8-15-13)14(18)19-9-12(17)16-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyOGIHFHBFWGSDGZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.02
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (PubChem CID 2353407) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
PubChem CID2353407
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C14H18N2O3S/c1-20-13-11(7-4-8-15-13)14(18)19-9-12(17)16-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyOGIHFHBFWGSDGZ-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CID 2353407) is [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is CSc1ncccc1C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The InChIKey is OGIHFHBFWGSDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20-13-11(7-4-8-15-13)14(18)19-9-12(17)16-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 2353407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).