[2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate

C8H9NO3S — CID 2435348

IUPAC[2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C8H9NO3S/c1-9-7(10)5-12-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,10)
InChIKeyYUYWGDGWQHKQQY-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.65
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2435348) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2435348
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name[2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C8H9NO3S/c1-9-7(10)5-12-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,10)
InChIKeyYUYWGDGWQHKQQY-UHFFFAOYSA-N
XLogP0.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2355136
[2-(Cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2407246
[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-(methylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2423459
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
Thiophene-2-carboxylic acid 1-cyclohexylcarbamoyl-propyl ester
CID 645876
Thiophene-2-carboxylic acid 3-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-butyl ester
CID 648442
Thiophene-2-carboxylic acid 1-[(thiophen-2-ylmethyl)-carbamoyl]-ethyl ester
CID 648929
Thiophene-2-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 650527
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2367113
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2379586

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 2435348) is [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate is CNC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is YUYWGDGWQHKQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-9-7(10)5-12-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,10).
What are the key properties of [2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(methylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 199.23 g/mol, XLogP of 0.65, 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] thiophene-2-carboxylate is sourced from PubChem (CID 2435348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).