ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate

C13H19NO2S — CID 54892913

IUPACethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)C(NC1CCCC1)c1ccsc1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)12(10-7-8-17-9-10)14-11-5-3-4-6-11/h7-9,11-12,14H,2-6H2,1H3
InChIKeyPFLCZRNCDHUYRM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.88
Rot. Bonds5

About ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate

ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate (PubChem CID 54892913) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
PubChem CID54892913
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)C(NC1CCCC1)c1ccsc1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)12(10-7-8-17-9-10)14-11-5-3-4-6-11/h7-9,11-12,14H,2-6H2,1H3
InChIKeyPFLCZRNCDHUYRM-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
CID 54893052
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 61346829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate?
The IUPAC name of ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate (CID 54892913) is ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate is CCOC(=O)C(NC1CCCC1)c1ccsc1.
What is the InChIKey of ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate?
The InChIKey is PFLCZRNCDHUYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13(15)12(10-7-8-17-9-10)14-11-5-3-4-6-11/h7-9,11-12,14H,2-6H2,1H3.
What are the key properties of ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate?
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate has a molecular weight of 253.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 54892913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).