ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate

C15H25NO2S — CID 63398662

IUPACethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C(C)(C)CC)c(C(C)C)c1N
InChIInChI=1S/C15H25NO2S/c1-7-15(5,6)13-10(9(3)4)11(16)12(19-13)14(17)18-8-2/h9H,7-8,16H2,1-6H3
InChIKeyLHBSSRKEDHNFAH-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.32
Rot. Bonds5

About ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate

ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate (PubChem CID 63398662) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate
PubChem CID63398662
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nameethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C(C)(C)CC)c(C(C)C)c1N
InChIInChI=1S/C15H25NO2S/c1-7-15(5,6)13-10(9(3)4)11(16)12(19-13)14(17)18-8-2/h9H,7-8,16H2,1-6H3
InChIKeyLHBSSRKEDHNFAH-UHFFFAOYSA-N
XLogP4.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.32
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-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate (CID 63398662) is ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(C(C)(C)CC)c(C(C)C)c1N.
What is the InChIKey of ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
The InChIKey is LHBSSRKEDHNFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-7-15(5,6)13-10(9(3)4)11(16)12(19-13)14(17)18-8-2/h9H,7-8,16H2,1-6H3.
What are the key properties of ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate?
ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate has a molecular weight of 283.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(2-methylbutan-2-yl)-4-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 63398662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).