2-(pentylamino)thiophene-3-carboxylic acid

C10H15NO2S — CID 67837297

IUPAC2-(pentylamino)thiophene-3-carboxylic acid
SMILESCCCCCNc1sccc1C(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-3-4-6-11-9-8(10(12)13)5-7-14-9/h5,7,11H,2-4,6H2,1H3,(H,12,13)
InChIKeyAAUYMKKNDIPGJG-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.05
Rot. Bonds6

About 2-(pentylamino)thiophene-3-carboxylic acid

2-(pentylamino)thiophene-3-carboxylic acid (PubChem CID 67837297) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(pentylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(pentylamino)thiophene-3-carboxylic acid
PubChem CID67837297
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(pentylamino)thiophene-3-carboxylic acid
SMILESCCCCCNc1sccc1C(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-3-4-6-11-9-8(10(12)13)5-7-14-9/h5,7,11H,2-4,6H2,1H3,(H,12,13)
InChIKeyAAUYMKKNDIPGJG-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.05
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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Related Compounds

2-(propylsulfonylamino)thiophene-3-carboxylic acid
CID 16776881
2-tetradecylthiophene-3-carboxylic acid
CID 67293637
2-(3-methylnonan-3-yl)thiophene-3-carboxylic acid
CID 138747060
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177894
2-(tetradecylamino)benzoic acid
CID 15090293
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-(5-hydroxypentylcarbamoylamino)thiophene-3-carboxylic acid
CID 107318257
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
2-methyl-3-(pentylamino)benzoic acid
CID 43737202
CID 70563593
CID 70563593

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(pentylamino)thiophene-3-carboxylic acid (CID 67837297) is 2-(pentylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(pentylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(pentylamino)thiophene-3-carboxylic acid is CCCCCNc1sccc1C(=O)O.
What is the InChIKey of 2-(pentylamino)thiophene-3-carboxylic acid?
The InChIKey is AAUYMKKNDIPGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-4-6-11-9-8(10(12)13)5-7-14-9/h5,7,11H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 2-(pentylamino)thiophene-3-carboxylic acid?
2-(pentylamino)thiophene-3-carboxylic acid has a molecular weight of 213.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 67837297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).