2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate

C10H15NO2S — CID 82056789

IUPAC2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate
SMILESCc1csc(N)c1C(=O)OCC(C)C
InChIInChI=1S/C10H15NO2S/c1-6(2)4-13-10(12)8-7(3)5-14-9(8)11/h5-6H,4,11H2,1-3H3
InChIKeyJGDLTDMXBKBHEC-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.45
Rot. Bonds3

About 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate

2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate (PubChem CID 82056789) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate
PubChem CID82056789
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate
SMILESCc1csc(N)c1C(=O)OCC(C)C
InChIInChI=1S/C10H15NO2S/c1-6(2)4-13-10(12)8-7(3)5-14-9(8)11/h5-6H,4,11H2,1-3H3
InChIKeyJGDLTDMXBKBHEC-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
CID 82056962
2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate
CID 82056806
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 82056935
2-methylpropyl 2-oxo-3H-1,3-thiazole-4-carboxylate
CID 123652281
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
CID 70892196
2-methylpropyl 2,6-difluorobenzoate
CID 587969
5-(2-methylpropoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 91210060
2-methylpropyl 4-aminobenzoate
CID 23616374
2-methylpropyl 2-amino-5-ethyl-4-phenylthiophene-3-carboxylate
CID 82056723
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate?
The IUPAC name of 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate (CID 82056789) is 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate?
The canonical SMILES for 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate is Cc1csc(N)c1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate?
The InChIKey is JGDLTDMXBKBHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6(2)4-13-10(12)8-7(3)5-14-9(8)11/h5-6H,4,11H2,1-3H3.
What are the key properties of 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate?
2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 82056789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).