methyl 3-amino-5-tert-butylthiophene-2-carboxylate

C10H15NO2S — CID 2777503

IUPACmethyl 3-amino-5-tert-butylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C10H15NO2S/c1-10(2,3)7-5-6(11)8(14-7)9(12)13-4/h5H,11H2,1-4H3
InChIKeyWHJBGOQJMFAKHY-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.41
Rot. Bonds1

About methyl 3-amino-5-tert-butylthiophene-2-carboxylate

methyl 3-amino-5-tert-butylthiophene-2-carboxylate (PubChem CID 2777503) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 3-amino-5-tert-butylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-tert-butylthiophene-2-carboxylate
PubChem CID2777503
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 3-amino-5-tert-butylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(C)(C)C)cc1N
InChIInChI=1S/C10H15NO2S/c1-10(2,3)7-5-6(11)8(14-7)9(12)13-4/h5H,11H2,1-4H3
InChIKeyWHJBGOQJMFAKHY-UHFFFAOYSA-N
XLogP2.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-tert-butylthiophene-2-carboxylate (CID 2777503) is methyl 3-amino-5-tert-butylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-tert-butylthiophene-2-carboxylate is COC(=O)c1sc(C(C)(C)C)cc1N.
What is the InChIKey of methyl 3-amino-5-tert-butylthiophene-2-carboxylate?
The InChIKey is WHJBGOQJMFAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)7-5-6(11)8(14-7)9(12)13-4/h5H,11H2,1-4H3.
What are the key properties of methyl 3-amino-5-tert-butylthiophene-2-carboxylate?
methyl 3-amino-5-tert-butylthiophene-2-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-tert-butylthiophene-2-carboxylate is sourced from PubChem (CID 2777503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).