methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate

C8H11NO3S — CID 15889788

IUPACmethyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
SMILESCOCc1csc(N)c1C(=O)OC
InChIInChI=1S/C8H11NO3S/c1-11-3-5-4-13-7(9)6(5)8(10)12-2/h4H,3,9H2,1-2H3
InChIKeyIIRCGSQSPSUWAS-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.26
Rot. Bonds3

About methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate

methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate (PubChem CID 15889788) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
PubChem CID15889788
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Namemethyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
SMILESCOCc1csc(N)c1C(=O)OC
InChIInChI=1S/C8H11NO3S/c1-11-3-5-4-13-7(9)6(5)8(10)12-2/h4H,3,9H2,1-2H3
InChIKeyIIRCGSQSPSUWAS-UHFFFAOYSA-N
XLogP1.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate (CID 15889788) is methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate is COCc1csc(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate?
The InChIKey is IIRCGSQSPSUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-11-3-5-4-13-7(9)6(5)8(10)12-2/h4H,3,9H2,1-2H3.
What are the key properties of methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate?
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate has a molecular weight of 201.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate is sourced from PubChem (CID 15889788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).