methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate

C11H17NO2S — CID 146013023

IUPACmethyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(CC(C)C)c1C
InChIInChI=1S/C11H17NO2S/c1-6(2)5-8-7(3)9(10(12)15-8)11(13)14-4/h6H,5,12H2,1-4H3
InChIKeyHTVSWHSHZPEVRS-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.62
Rot. Bonds3

About methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate

methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 146013023) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID146013023
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(CC(C)C)c1C
InChIInChI=1S/C11H17NO2S/c1-6(2)5-8-7(3)9(10(12)15-8)11(13)14-4/h6H,5,12H2,1-4H3
InChIKeyHTVSWHSHZPEVRS-UHFFFAOYSA-N
XLogP2.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998
methyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006766
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
methyl 2-amino-5-[(S)-hydroxy(methoxy)methyl]-4-methylthiophene-3-carboxylate
CID 847856
methyl 2-amino-4-methyl-5-nitrothiophene-3-carboxylate
CID 3461040
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006756
methyl 4-acetyl-5-amino-3-methylthiophene-2-carboxylate
CID 65354883
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
CID 97034573
2-methylpropyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 82056935
methyl 2-amino-4-methyl-1-benzothiophene-3-carboxylate
CID 130154146

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate (CID 146013023) is methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate is COC(=O)c1c(N)sc(CC(C)C)c1C.
What is the InChIKey of methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is HTVSWHSHZPEVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-6(2)5-8-7(3)9(10(12)15-8)11(13)14-4/h6H,5,12H2,1-4H3.
What are the key properties of methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate?
methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 227.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 146013023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).