ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate

C13H18N2O3S — CID 79161946

IUPACethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)N1CCCC1
InChIInChI=1S/C13H18N2O3S/c1-3-18-12(16)10-8-9(2)19-11(10)14-13(17)15-6-4-5-7-15/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyRWSGDBNMOFYFID-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.86
Rot. Bonds3

About ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate

ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate (PubChem CID 79161946) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
PubChem CID79161946
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nameethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)N1CCCC1
InChIInChI=1S/C13H18N2O3S/c1-3-18-12(16)10-8-9(2)19-11(10)14-13(17)15-6-4-5-7-15/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyRWSGDBNMOFYFID-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
CID 79155647
(3S,4S)-1-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122087824
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
1-[(5-tert-butyl-3-ethoxycarbonylthiophen-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087926
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate (CID 79161946) is ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)N1CCCC1.
What is the InChIKey of ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate?
The InChIKey is RWSGDBNMOFYFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-12(16)10-8-9(2)19-11(10)14-13(17)15-6-4-5-7-15/h8H,3-7H2,1-2H3,(H,14,17).
What are the key properties of ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate?
ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 79161946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).