[2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C11H13NO3S — CID 2407246

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2CC2)s1
InChIInChI=1S/C11H13NO3S/c1-7-2-5-9(16-7)11(14)15-6-10(13)12-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,12,13)
InChIKeyDNFPFGWFGWJSLL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.49
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2407246) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2407246
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2CC2)s1
InChIInChI=1S/C11H13NO3S/c1-7-2-5-9(16-7)11(14)15-6-10(13)12-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,12,13)
InChIKeyDNFPFGWFGWJSLL-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.49
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-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4282910
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4649226
Thiophene-2-carboxylic acid 1-cyclohexylcarbamoyl-propyl ester
CID 645876
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
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 25163469
Thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl ester
CID 1084755

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2407246) is [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NC2CC2)s1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is DNFPFGWFGWJSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-2-5-9(16-7)11(14)15-6-10(13)12-8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H,12,13).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2407246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).