ethyl 4-(3-aminopropyl)thiophene-3-carboxylate

C10H15NO2S — CID 91220502

IUPACethyl 4-(3-aminopropyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cscc1CCCN
InChIInChI=1S/C10H15NO2S/c1-2-13-10(12)9-7-14-6-8(9)4-3-5-11/h6-7H,2-5,11H2,1H3
InChIKeyXKGUCFRXIXGNNF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-(3-aminopropyl)thiophene-3-carboxylate

ethyl 4-(3-aminopropyl)thiophene-3-carboxylate (PubChem CID 91220502) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 4-(3-aminopropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-aminopropyl)thiophene-3-carboxylate
PubChem CID91220502
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 4-(3-aminopropyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cscc1CCCN
InChIInChI=1S/C10H15NO2S/c1-2-13-10(12)9-7-14-6-8(9)4-3-5-11/h6-7H,2-5,11H2,1H3
InChIKeyXKGUCFRXIXGNNF-UHFFFAOYSA-N
XLogP1.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-aminopropyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(3-aminopropyl)thiophene-3-carboxylate (CID 91220502) is ethyl 4-(3-aminopropyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-aminopropyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(3-aminopropyl)thiophene-3-carboxylate is CCOC(=O)c1cscc1CCCN.
What is the InChIKey of ethyl 4-(3-aminopropyl)thiophene-3-carboxylate?
The InChIKey is XKGUCFRXIXGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-13-10(12)9-7-14-6-8(9)4-3-5-11/h6-7H,2-5,11H2,1H3.
What are the key properties of ethyl 4-(3-aminopropyl)thiophene-3-carboxylate?
ethyl 4-(3-aminopropyl)thiophene-3-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-aminopropyl)thiophene-3-carboxylate is sourced from PubChem (CID 91220502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).