methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate

C11H15NO4S — CID 82316810

IUPACmethyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NCC(C)C(=O)OC
InChIInChI=1S/C11H15NO4S/c1-7(10(13)15-2)6-12-9-8(4-5-17-9)11(14)16-3/h4-5,7,12H,6H2,1-3H3
InChIKeyMYGIOBFQRTZIIK-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.76
Rot. Bonds5

About methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate

methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate (PubChem CID 82316810) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
PubChem CID82316810
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NCC(C)C(=O)OC
InChIInChI=1S/C11H15NO4S/c1-7(10(13)15-2)6-12-9-8(4-5-17-9)11(14)16-3/h4-5,7,12H,6H2,1-3H3
InChIKeyMYGIOBFQRTZIIK-UHFFFAOYSA-N
XLogP1.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316695
methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82316826
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 2-[[2-(4-methylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 17144313
methyl 2-[[(E)-2,3-diaminoprop-2-enoyl]amino]thiophene-3-carboxylate
CID 70971996
methyl 2-ethylthiophene-3-carboxylate
CID 13099127
methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
methyl 2-(propylcarbamothioylamino)thiophene-3-carboxylate
CID 22966909
methyl 2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 7166879
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate (CID 82316810) is methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NCC(C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate?
The InChIKey is MYGIOBFQRTZIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-7(10(13)15-2)6-12-9-8(4-5-17-9)11(14)16-3/h4-5,7,12H,6H2,1-3H3.
What are the key properties of methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate?
methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 82316810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).