methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate

C13H15NO3S — CID 43222470

IUPACmethyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)c2cccs2)o1
InChIInChI=1S/C13H15NO3S/c1-9(12-4-3-7-18-12)14-8-10-5-6-11(17-10)13(15)16-2/h3-7,9,14H,8H2,1-2H3
InChIKeyMFCPPBFLUAQWCS-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.98
Rot. Bonds5

About methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate

methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate (PubChem CID 43222470) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
PubChem CID43222470
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Namemethyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)c2cccs2)o1
InChIInChI=1S/C13H15NO3S/c1-9(12-4-3-7-18-12)14-8-10-5-6-11(17-10)13(15)16-2/h3-7,9,14H,8H2,1-2H3
InChIKeyMFCPPBFLUAQWCS-UHFFFAOYSA-N
XLogP2.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate
CID 103244693
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
CID 62304868

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate (CID 43222470) is methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(C)c2cccs2)o1.
What is the InChIKey of methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate?
The InChIKey is MFCPPBFLUAQWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9(12-4-3-7-18-12)14-8-10-5-6-11(17-10)13(15)16-2/h3-7,9,14H,8H2,1-2H3.
What are the key properties of methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate?
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43222470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).