[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate

C12H16N2O4S — CID 63099562

IUPAC[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCC(=O)NC1CCOCC1
InChIInChI=1S/C12H16N2O4S/c13-9-3-6-19-11(9)12(16)18-7-10(15)14-8-1-4-17-5-2-8/h3,6,8H,1-2,4-5,7,13H2,(H,14,15)
InChIKeyOPTAPTKYGFZKGX-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.78
Rot. Bonds4

About [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate

[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate (PubChem CID 63099562) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
PubChem CID63099562
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCC(=O)NC1CCOCC1
InChIInChI=1S/C12H16N2O4S/c13-9-3-6-19-11(9)12(16)18-7-10(15)14-8-1-4-17-5-2-8/h3,6,8H,1-2,4-5,7,13H2,(H,14,15)
InChIKeyOPTAPTKYGFZKGX-UHFFFAOYSA-N
XLogP0.78
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 62574037
3-[2-(oxan-4-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336144
[2-(oxan-4-ylamino)-2-oxoethyl] 3-amino-4-methylbenzoate
CID 63098369
[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316598
[2-(oxan-4-ylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 63099389
[2-(oxan-4-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 63099058
[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
CID 61316599
[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
CID 63098891
[2-(cyanomethylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316603
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
oxan-2-ylmethyl 3-aminothiophene-2-carboxylate
CID 61308304
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The IUPAC name of [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate (CID 63099562) is [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate.
What is the SMILES notation for [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The canonical SMILES for [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate is Nc1ccsc1C(=O)OCC(=O)NC1CCOCC1.
What is the InChIKey of [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The InChIKey is OPTAPTKYGFZKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c13-9-3-6-19-11(9)12(16)18-7-10(15)14-8-1-4-17-5-2-8/h3,6,8H,1-2,4-5,7,13H2,(H,14,15).
What are the key properties of [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 63099562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).