methyl 4-amino-5-propylthiophene-3-carboxylate

C9H13NO2S — CID 13286146

IUPACmethyl 4-amino-5-propylthiophene-3-carboxylate
SMILESCCCc1scc(C(=O)OC)c1N
InChIInChI=1S/C9H13NO2S/c1-3-4-7-8(10)6(5-13-7)9(11)12-2/h5H,3-4,10H2,1-2H3
InChIKeyOEEDGYIGRJXIBU-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.07
Rot. Bonds3

About methyl 4-amino-5-propylthiophene-3-carboxylate

methyl 4-amino-5-propylthiophene-3-carboxylate (PubChem CID 13286146) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl 4-amino-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-propylthiophene-3-carboxylate
PubChem CID13286146
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl 4-amino-5-propylthiophene-3-carboxylate
SMILESCCCc1scc(C(=O)OC)c1N
InChIInChI=1S/C9H13NO2S/c1-3-4-7-8(10)6(5-13-7)9(11)12-2/h5H,3-4,10H2,1-2H3
InChIKeyOEEDGYIGRJXIBU-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-propylthiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-5-propylthiophene-3-carboxylate (CID 13286146) is methyl 4-amino-5-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-propylthiophene-3-carboxylate is CCCc1scc(C(=O)OC)c1N.
What is the InChIKey of methyl 4-amino-5-propylthiophene-3-carboxylate?
The InChIKey is OEEDGYIGRJXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-4-7-8(10)6(5-13-7)9(11)12-2/h5H,3-4,10H2,1-2H3.
What are the key properties of methyl 4-amino-5-propylthiophene-3-carboxylate?
methyl 4-amino-5-propylthiophene-3-carboxylate has a molecular weight of 199.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 13286146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).