3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide

C11H16N2O2S — CID 61110609

IUPAC3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1sccc1N)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-15-6-5-13(8-2-3-8)11(14)10-9(12)4-7-16-10/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeySESNQBWDASZBCE-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.58
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide

3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 61110609) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID61110609
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1sccc1N)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-15-6-5-13(8-2-3-8)11(14)10-9(12)4-7-16-10/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeySESNQBWDASZBCE-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 61110609) is 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(C(=O)c1sccc1N)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is SESNQBWDASZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-6-5-13(8-2-3-8)11(14)10-9(12)4-7-16-10/h4,7-8H,2-3,5-6,12H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61110609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).