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

C11H17NO2S — CID 90832848

IUPACpropyl 4-(3-aminopropyl)thiophene-3-carboxylate
SMILESCCCOC(=O)c1cscc1CCCN
InChIInChI=1S/C11H17NO2S/c1-2-6-14-11(13)10-8-15-7-9(10)4-3-5-12/h7-8H,2-6,12H2,1H3
InChIKeyDFRRYXRTXRYVMV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.21
Rot. Bonds6

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

propyl 4-(3-aminopropyl)thiophene-3-carboxylate (PubChem CID 90832848) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is propyl 4-(3-aminopropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-(3-aminopropyl)thiophene-3-carboxylate
PubChem CID90832848
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namepropyl 4-(3-aminopropyl)thiophene-3-carboxylate
SMILESCCCOC(=O)c1cscc1CCCN
InChIInChI=1S/C11H17NO2S/c1-2-6-14-11(13)10-8-15-7-9(10)4-3-5-12/h7-8H,2-6,12H2,1H3
InChIKeyDFRRYXRTXRYVMV-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-(2-amino-1-fluoroethyl)thiophene-3-carboxylate
CID 165666032
Methyl 3-(3-amino-1-fluoropropyl)thiophene-2-carboxylate
CID 165674099
2-Aminoethyl 4,5-dimethylthiophene-2-carboxylate
CID 54257993
Ethyl 4-ethylthiophene-3-carboxylate
CID 58486124
Tert-butyl 4-(2-aminoethyl)thiophene-2-carboxylate
CID 59478678
1-Aminoethyl 4,5-dimethylthiophene-2-carboxylate
CID 70596483
4-(3-Aminopropyl)thiophene-3-carboxylic acid
CID 82406144
Ethyl 5-(aminomethyl)-4-methylthiophene-2-carboxylate
CID 86216316
Methyl 4-(3-aminopropyl)thiophene-3-carboxylate
CID 90890912
Ethyl 4-(3-aminopropyl)thiophene-3-carboxylate
CID 91220502
Methyl 4-(1-aminoethyl)thiophene-3-carboxylate
CID 130002222
Ethyl 5-(aminomethyl)-4-methylthiophene-3-carboxylate
CID 139809221

Frequently Asked Questions

What is the IUPAC name of propyl 4-(3-aminopropyl)thiophene-3-carboxylate?
The IUPAC name of propyl 4-(3-aminopropyl)thiophene-3-carboxylate (CID 90832848) is propyl 4-(3-aminopropyl)thiophene-3-carboxylate.
What is the SMILES notation for propyl 4-(3-aminopropyl)thiophene-3-carboxylate?
The canonical SMILES for propyl 4-(3-aminopropyl)thiophene-3-carboxylate is CCCOC(=O)c1cscc1CCCN.
What is the InChIKey of propyl 4-(3-aminopropyl)thiophene-3-carboxylate?
The InChIKey is DFRRYXRTXRYVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-6-14-11(13)10-8-15-7-9(10)4-3-5-12/h7-8H,2-6,12H2,1H3.
What are the key properties of propyl 4-(3-aminopropyl)thiophene-3-carboxylate?
propyl 4-(3-aminopropyl)thiophene-3-carboxylate has a molecular weight of 227.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(3-aminopropyl)thiophene-3-carboxylate is sourced from PubChem (CID 90832848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).