[2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C9H11NO3S — CID 2421416

IUPAC[2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCNC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C9H11NO3S/c1-6-3-4-14-8(6)9(12)13-5-7(11)10-2/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyWYSGVIPANBSIJJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.96
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2421416) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2421416
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCNC(=O)COC(=O)c1sccc1C
InChIInChI=1S/C9H11NO3S/c1-6-3-4-14-8(6)9(12)13-5-7(11)10-2/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyWYSGVIPANBSIJJ-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2421416) is [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is CNC(=O)COC(=O)c1sccc1C.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is WYSGVIPANBSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-3-4-14-8(6)9(12)13-5-7(11)10-2/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 213.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2421416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).