propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate

C11H17NO2S — CID 68551473

IUPACpropyl 4-amino-5-propan-2-ylthiophene-3-carboxylate
SMILESCCCOC(=O)c1csc(C(C)C)c1N
InChIInChI=1S/C11H17NO2S/c1-4-5-14-11(13)8-6-15-10(7(2)3)9(8)12/h6-7H,4-5,12H2,1-3H3
InChIKeyHBLWVHIJCDXYDK-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.02
Rot. Bonds4

About propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate

propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate (PubChem CID 68551473) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-5-propan-2-ylthiophene-3-carboxylate
PubChem CID68551473
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namepropyl 4-amino-5-propan-2-ylthiophene-3-carboxylate
SMILESCCCOC(=O)c1csc(C(C)C)c1N
InChIInChI=1S/C11H17NO2S/c1-4-5-14-11(13)8-6-15-10(7(2)3)9(8)12/h6-7H,4-5,12H2,1-3H3
InChIKeyHBLWVHIJCDXYDK-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate?
The IUPAC name of propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate (CID 68551473) is propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate.
What is the SMILES notation for propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate?
The canonical SMILES for propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate is CCCOC(=O)c1csc(C(C)C)c1N.
What is the InChIKey of propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate?
The InChIKey is HBLWVHIJCDXYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-5-14-11(13)8-6-15-10(7(2)3)9(8)12/h6-7H,4-5,12H2,1-3H3.
What are the key properties of propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate?
propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate has a molecular weight of 227.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 68551473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).