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

C12H15NO3S — CID 1084755

IUPAC[2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NC1CCCC1
InChIInChI=1S/C12H15NO3S/c14-11(13-9-4-1-2-5-9)8-16-12(15)10-6-3-7-17-10/h3,6-7,9H,1-2,4-5,8H2,(H,13,14)
InChIKeyANIVRRLOCJUZAQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.96
Rot. Bonds4

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

[2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 1084755) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID1084755
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NC1CCCC1
InChIInChI=1S/C12H15NO3S/c14-11(13-9-4-1-2-5-9)8-16-12(15)10-6-3-7-17-10/h3,6-7,9H,1-2,4-5,8H2,(H,13,14)
InChIKeyANIVRRLOCJUZAQ-UHFFFAOYSA-N
XLogP1.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[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-(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
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653731
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] thiophene-2-carboxylate
CID 4043857
Thiophene-2-carboxylic acid 1-cyclohexylcarbamoyl-propyl ester
CID 645876

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 1084755) is [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is ANIVRRLOCJUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-11(13-9-4-1-2-5-9)8-16-12(15)10-6-3-7-17-10/h3,6-7,9H,1-2,4-5,8H2,(H,13,14).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1084755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).