methyl 4-amino-5-butylthiophene-3-carboxylate

C10H15NO2S — CID 13286151

IUPACmethyl 4-amino-5-butylthiophene-3-carboxylate
SMILESCCCCc1scc(C(=O)OC)c1N
InChIInChI=1S/C10H15NO2S/c1-3-4-5-8-9(11)7(6-14-8)10(12)13-2/h6H,3-5,11H2,1-2H3
InChIKeySCTKMZQPXXCBDS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.46
Rot. Bonds4

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

methyl 4-amino-5-butylthiophene-3-carboxylate (PubChem CID 13286151) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 4-amino-5-butylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-butylthiophene-3-carboxylate
PubChem CID13286151
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 4-amino-5-butylthiophene-3-carboxylate
SMILESCCCCc1scc(C(=O)OC)c1N
InChIInChI=1S/C10H15NO2S/c1-3-4-5-8-9(11)7(6-14-8)10(12)13-2/h6H,3-5,11H2,1-2H3
InChIKeySCTKMZQPXXCBDS-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.46
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-butylthiophene-3-carboxylate?
The IUPAC name of methyl 4-amino-5-butylthiophene-3-carboxylate (CID 13286151) is methyl 4-amino-5-butylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-butylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-butylthiophene-3-carboxylate is CCCCc1scc(C(=O)OC)c1N.
What is the InChIKey of methyl 4-amino-5-butylthiophene-3-carboxylate?
The InChIKey is SCTKMZQPXXCBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-4-5-8-9(11)7(6-14-8)10(12)13-2/h6H,3-5,11H2,1-2H3.
What are the key properties of methyl 4-amino-5-butylthiophene-3-carboxylate?
methyl 4-amino-5-butylthiophene-3-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-butylthiophene-3-carboxylate is sourced from PubChem (CID 13286151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).