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

C10H15NO2S — CID 638858

IUPACmethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1N
InChIInChI=1S/C10H15NO2S/c1-6(2)4-7-5-14-9(11)8(7)10(12)13-3/h5-6H,4,11H2,1-3H3
InChIKeyXVYAEAXXDWJBDM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.32
Rot. Bonds3

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

methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 638858) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID638858
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1N
InChIInChI=1S/C10H15NO2S/c1-6(2)4-7-5-14-9(11)8(7)10(12)13-3/h5-6H,4,11H2,1-3H3
InChIKeyXVYAEAXXDWJBDM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Ethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 3761339
Ethyl 2-amino-5-ethyl-3-thenoate
CID 78263
ethyl 2-amino-4H,5H,6H-thieno[2,3-b]thiopyran-3-carboxylate
CID 2451365
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
Ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CID 673140
Ethyl 4-cyclopropyl-2-acetamidothiophene-3-carboxylate
CID 704424
Ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
CID 645868
Methyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
CID 961131
Methyl 2-amino-5-(butylsulfanylmethyl)thiophene-3-carboxylate
CID 72705183
Methyl 2-amino-5-(pentylsulfanylmethyl)thiophene-3-carboxylate
CID 72705184
Methyl 2-amino-5-(3-methylbutylsulfanylmethyl)thiophene-3-carboxylate
CID 72705185

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate (CID 638858) is methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1N.
What is the InChIKey of methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is XVYAEAXXDWJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6(2)4-7-5-14-9(11)8(7)10(12)13-3/h5-6H,4,11H2,1-3H3.
What are the key properties of methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate?
methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.32, 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-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 638858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).