4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid

C11H15NO3S — CID 69256754

IUPAC4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid
SMILESCCCCC(=O)Nc1c(C)csc1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-3-4-5-8(13)12-9-7(2)6-16-10(9)11(14)15/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHLNPVNQYPNSJIA-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.88
Rot. Bonds5

About 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid

4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid (PubChem CID 69256754) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid
PubChem CID69256754
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid
SMILESCCCCC(=O)Nc1c(C)csc1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-3-4-5-8(13)12-9-7(2)6-16-10(9)11(14)15/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyHLNPVNQYPNSJIA-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid (CID 69256754) is 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid is CCCCC(=O)Nc1c(C)csc1C(=O)O.
What is the InChIKey of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
The InChIKey is HLNPVNQYPNSJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-4-5-8(13)12-9-7(2)6-16-10(9)11(14)15/h6H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid?
4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pentanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 69256754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).