ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate

C15H24N2O2S2 — CID 107403366

IUPACethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N(CC)CC2CCC2)c(SC)c1N
InChIInChI=1S/C15H24N2O2S2/c1-4-17(9-10-7-6-8-10)14-12(20-3)11(16)13(21-14)15(18)19-5-2/h10H,4-9,16H2,1-3H3
InChIKeyOWUBPUMKYFUTSC-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.86
Rot. Bonds7

About ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate

ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate (PubChem CID 107403366) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
PubChem CID107403366
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Nameethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(N(CC)CC2CCC2)c(SC)c1N
InChIInChI=1S/C15H24N2O2S2/c1-4-17(9-10-7-6-8-10)14-12(20-3)11(16)13(21-14)15(18)19-5-2/h10H,4-9,16H2,1-3H3
InChIKeyOWUBPUMKYFUTSC-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
3-amino-5-[cyclopropylmethyl(ethyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103422426
methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103509868
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(ethyl)amino]thiophene-3-carboxylate
CID 103422466
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
ethyl 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-4-methylsulfanylthiophene-2-carboxylate
CID 103505922
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
ethyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103417825
3-amino-5-[ethyl(2-methylpropyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103420758
ethyl 3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate
CID 106674918
ethyl 3-amino-4-methylsulfanyl-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506287
ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate (CID 107403366) is ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate is CCOC(=O)c1sc(N(CC)CC2CCC2)c(SC)c1N.
What is the InChIKey of ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
The InChIKey is OWUBPUMKYFUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-17(9-10-7-6-8-10)14-12(20-3)11(16)13(21-14)15(18)19-5-2/h10H,4-9,16H2,1-3H3.
What are the key properties of ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate?
ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate is sourced from PubChem (CID 107403366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).