methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate

C11H15NO2S — CID 68945263

IUPACmethyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(CCC2CC2)cc1N
InChIInChI=1S/C11H15NO2S/c1-14-11(13)10-9(12)6-8(15-10)5-4-7-2-3-7/h6-7H,2-5,12H2,1H3
InChIKeyUOWOQVLMYFCNCF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.46
Rot. Bonds4

About methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate

methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate (PubChem CID 68945263) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate
PubChem CID68945263
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(CCC2CC2)cc1N
InChIInChI=1S/C11H15NO2S/c1-14-11(13)10-9(12)6-8(15-10)5-4-7-2-3-7/h6-7H,2-5,12H2,1H3
InChIKeyUOWOQVLMYFCNCF-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.46
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-(2-cyclopropylethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate (CID 68945263) is methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate is COC(=O)c1sc(CCC2CC2)cc1N.
What is the InChIKey of methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate?
The InChIKey is UOWOQVLMYFCNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-11(13)10-9(12)6-8(15-10)5-4-7-2-3-7/h6-7H,2-5,12H2,1H3.
What are the key properties of methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate?
methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2-cyclopropylethyl)thiophene-2-carboxylate is sourced from PubChem (CID 68945263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).