2-amino-N-butyl-5-methylthiophene-3-carboxamide

C10H16N2OS — CID 134138831

IUPAC2-amino-N-butyl-5-methylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(C)sc1N
InChIInChI=1S/C10H16N2OS/c1-3-4-5-12-10(13)8-6-7(2)14-9(8)11/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyGXTQNWYSOAPAJN-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-N-butyl-5-methylthiophene-3-carboxamide

2-amino-N-butyl-5-methylthiophene-3-carboxamide (PubChem CID 134138831) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-amino-N-butyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-5-methylthiophene-3-carboxamide
PubChem CID134138831
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-amino-N-butyl-5-methylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(C)sc1N
InChIInChI=1S/C10H16N2OS/c1-3-4-5-12-10(13)8-6-7(2)14-9(8)11/h6H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyGXTQNWYSOAPAJN-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-butyl-5-methylthiophene-3-carboxamide (CID 134138831) is 2-amino-N-butyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-butyl-5-methylthiophene-3-carboxamide is CCCCNC(=O)c1cc(C)sc1N.
What is the InChIKey of 2-amino-N-butyl-5-methylthiophene-3-carboxamide?
The InChIKey is GXTQNWYSOAPAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-12-10(13)8-6-7(2)14-9(8)11/h6H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-butyl-5-methylthiophene-3-carboxamide?
2-amino-N-butyl-5-methylthiophene-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 134138831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).