ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate

C11H21NO2S — CID 79653865

IUPACethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(SC)C1
InChIInChI=1S/C11H21NO2S/c1-4-12-11(10(13)14-5-2)7-6-9(8-11)15-3/h9,12H,4-8H2,1-3H3
InChIKeyVPAOYSRKTYSBPO-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.81
Rot. Bonds5

About ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate

ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate (PubChem CID 79653865) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
PubChem CID79653865
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(SC)C1
InChIInChI=1S/C11H21NO2S/c1-4-12-11(10(13)14-5-2)7-6-9(8-11)15-3/h9,12H,4-8H2,1-3H3
InChIKeyVPAOYSRKTYSBPO-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
ethyl 1-(ethylamino)-3-pentylsulfanylcyclopentane-1-carboxylate
CID 107755552
ethyl 1-(ethylamino)-3-(3-hydroxypropylsulfanyl)cyclopentane-1-carboxylate
CID 79656004
ethyl 1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634657
ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
ethyl 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carboxylate
CID 79638188
ethyl 3-butan-2-ylsulfanyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 79637738
ethyl 1-(ethylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylate
CID 79653635
ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654009
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 115561553
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate (CID 79653865) is ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(SC)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate?
The InChIKey is VPAOYSRKTYSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-12-11(10(13)14-5-2)7-6-9(8-11)15-3/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate has a molecular weight of 231.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate is sourced from PubChem (CID 79653865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).