2-cyclohexylethyl 3-aminothiophene-2-carboxylate

C13H19NO2S — CID 114192372

IUPAC2-cyclohexylethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCCC1CCCCC1
InChIInChI=1S/C13H19NO2S/c14-11-7-9-17-12(11)13(15)16-8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8,14H2
InChIKeyZPRSUWVXOCDIOI-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.46
Rot. Bonds4

About 2-cyclohexylethyl 3-aminothiophene-2-carboxylate

2-cyclohexylethyl 3-aminothiophene-2-carboxylate (PubChem CID 114192372) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-cyclohexylethyl 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name2-cyclohexylethyl 3-aminothiophene-2-carboxylate
PubChem CID114192372
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-cyclohexylethyl 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCCC1CCCCC1
InChIInChI=1S/C13H19NO2S/c14-11-7-9-17-12(11)13(15)16-8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8,14H2
InChIKeyZPRSUWVXOCDIOI-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl 3-aminothiophene-2-carboxylate?
The IUPAC name of 2-cyclohexylethyl 3-aminothiophene-2-carboxylate (CID 114192372) is 2-cyclohexylethyl 3-aminothiophene-2-carboxylate.
What is the SMILES notation for 2-cyclohexylethyl 3-aminothiophene-2-carboxylate?
The canonical SMILES for 2-cyclohexylethyl 3-aminothiophene-2-carboxylate is Nc1ccsc1C(=O)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl 3-aminothiophene-2-carboxylate?
The InChIKey is ZPRSUWVXOCDIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c14-11-7-9-17-12(11)13(15)16-8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8,14H2.
What are the key properties of 2-cyclohexylethyl 3-aminothiophene-2-carboxylate?
2-cyclohexylethyl 3-aminothiophene-2-carboxylate has a molecular weight of 253.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 114192372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).