methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate

C13H22N2O3S — CID 103420554

IUPACmethyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
SMILESCCCCN(CC)c1sc(C(=O)OC)c(N)c1OC
InChIInChI=1S/C13H22N2O3S/c1-5-7-8-15(6-2)12-10(17-3)9(14)11(19-12)13(16)18-4/h5-8,14H2,1-4H3
InChIKeyFFLVFEHHOASYBA-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.75
Rot. Bonds7

About methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate

methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate (PubChem CID 103420554) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
PubChem CID103420554
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Namemethyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
SMILESCCCCN(CC)c1sc(C(=O)OC)c(N)c1OC
InChIInChI=1S/C13H22N2O3S/c1-5-7-8-15(6-2)12-10(17-3)9(14)11(19-12)13(16)18-4/h5-8,14H2,1-4H3
InChIKeyFFLVFEHHOASYBA-UHFFFAOYSA-N
XLogP2.75
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate (CID 103420554) is methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate is CCCCN(CC)c1sc(C(=O)OC)c(N)c1OC.
What is the InChIKey of methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate?
The InChIKey is FFLVFEHHOASYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-7-8-15(6-2)12-10(17-3)9(14)11(19-12)13(16)18-4/h5-8,14H2,1-4H3.
What are the key properties of methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate?
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate has a molecular weight of 286.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 103420554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).