ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate

C15H22N2O2S — CID 79654009

IUPACethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(Sc2ccccn2)C1
InChIInChI=1S/C15H22N2O2S/c1-3-17-15(14(18)19-4-2)9-8-12(11-15)20-13-7-5-6-10-16-13/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3
InChIKeyQJZUQGFVGFZJFG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.64
Rot. Bonds6

About ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate

ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate (PubChem CID 79654009) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
PubChem CID79654009
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Nameethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(Sc2ccccn2)C1
InChIInChI=1S/C15H22N2O2S/c1-3-17-15(14(18)19-4-2)9-8-12(11-15)20-13-7-5-6-10-16-13/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3
InChIKeyQJZUQGFVGFZJFG-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
methyl 1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654086
ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79653635
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
ethyl 3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79656323
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
1-(cyclopropylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylic acid
CID 79654393
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
ethyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclopentane-1-carboxylate
CID 79656004
ethyl 1-(ethylamino)-3-pentylsulfanylcyclopentane-1-carboxylate
CID 107755552
ethyl 3-(4-fluorophenyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylate
CID 79653771

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate (CID 79654009) is ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(Sc2ccccn2)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate?
The InChIKey is QJZUQGFVGFZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-17-15(14(18)19-4-2)9-8-12(11-15)20-13-7-5-6-10-16-13/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate has a molecular weight of 294.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79654009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).