ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate

C10H14N2O3S — CID 84750739

IUPACethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CN)sc1NC(C)=O
InChIInChI=1S/C10H14N2O3S/c1-3-15-10(14)8-4-7(5-11)16-9(8)12-6(2)13/h4H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyDRNSQHLMOQUNPV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.34
Rot. Bonds4

About ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate

ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate (PubChem CID 84750739) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate
PubChem CID84750739
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CN)sc1NC(C)=O
InChIInChI=1S/C10H14N2O3S/c1-3-15-10(14)8-4-7(5-11)16-9(8)12-6(2)13/h4H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyDRNSQHLMOQUNPV-UHFFFAOYSA-N
XLogP1.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate (CID 84750739) is ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate is CCOC(=O)c1cc(CN)sc1NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate?
The InChIKey is DRNSQHLMOQUNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-15-10(14)8-4-7(5-11)16-9(8)12-6(2)13/h4H,3,5,11H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate?
ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5-(aminomethyl)thiophene-3-carboxylate is sourced from PubChem (CID 84750739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).