ethyl 3-amino-5-tert-butylthiophene-2-carboxylate

C11H17NO2S — CID 22308557

IUPACethyl 3-amino-5-tert-butylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C11H17NO2S/c1-5-14-10(13)9-7(12)6-8(15-9)11(2,3)4/h6H,5,12H2,1-4H3
InChIKeyUOEYFEKNMRMSRF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.80
Rot. Bonds2

About ethyl 3-amino-5-tert-butylthiophene-2-carboxylate

ethyl 3-amino-5-tert-butylthiophene-2-carboxylate (PubChem CID 22308557) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is ethyl 3-amino-5-tert-butylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-tert-butylthiophene-2-carboxylate
PubChem CID22308557
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nameethyl 3-amino-5-tert-butylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C11H17NO2S/c1-5-14-10(13)9-7(12)6-8(15-9)11(2,3)4/h6H,5,12H2,1-4H3
InChIKeyUOEYFEKNMRMSRF-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-tert-butylthiophene-2-carboxylate (CID 22308557) is ethyl 3-amino-5-tert-butylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-tert-butylthiophene-2-carboxylate is CCOC(=O)c1sc(C(C)(C)C)cc1N.
What is the InChIKey of ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The InChIKey is UOEYFEKNMRMSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-14-10(13)9-7(12)6-8(15-9)11(2,3)4/h6H,5,12H2,1-4H3.
What are the key properties of ethyl 3-amino-5-tert-butylthiophene-2-carboxylate?
ethyl 3-amino-5-tert-butylthiophene-2-carboxylate has a molecular weight of 227.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-tert-butylthiophene-2-carboxylate is sourced from PubChem (CID 22308557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).