tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride

C11H18ClNO2S — CID 67398215

IUPACtert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)c1ccc(CCN)s1.Cl
InChIInChI=1S/C11H17NO2S.ClH/c1-11(2,3)14-10(13)9-5-4-8(15-9)6-7-12;/h4-5H,6-7,12H2,1-3H3;1H
InChIKeyGWNZZFAQTNSHHL-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride

tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride (PubChem CID 67398215) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride
PubChem CID67398215
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Nametert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)c1ccc(CCN)s1.Cl
InChIInChI=1S/C11H17NO2S.ClH/c1-11(2,3)14-10(13)9-5-4-8(15-9)6-7-12;/h4-5H,6-7,12H2,1-3H3;1H
InChIKeyGWNZZFAQTNSHHL-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride (CID 67398215) is tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride is CC(C)(C)OC(=O)c1ccc(CCN)s1.Cl.
What is the InChIKey of tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride?
The InChIKey is GWNZZFAQTNSHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.ClH/c1-11(2,3)14-10(13)9-5-4-8(15-9)6-7-12;/h4-5H,6-7,12H2,1-3H3;1H.
What are the key properties of tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride?
tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride has a molecular weight of 263.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-aminoethyl)thiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 67398215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).