5-(pentylamino)thiophene-2-carboxylic acid

C10H15NO2S — CID 70540510

IUPAC5-(pentylamino)thiophene-2-carboxylic acid
SMILESCCCCCNc1ccc(C(=O)O)s1
InChIInChI=1S/C10H15NO2S/c1-2-3-4-7-11-9-6-5-8(14-9)10(12)13/h5-6,11H,2-4,7H2,1H3,(H,12,13)
InChIKeyXQGBVOMIPKFNDP-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.05
Rot. Bonds6

About 5-(pentylamino)thiophene-2-carboxylic acid

5-(pentylamino)thiophene-2-carboxylic acid (PubChem CID 70540510) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-(pentylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(pentylamino)thiophene-2-carboxylic acid
PubChem CID70540510
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name5-(pentylamino)thiophene-2-carboxylic acid
SMILESCCCCCNc1ccc(C(=O)O)s1
InChIInChI=1S/C10H15NO2S/c1-2-3-4-7-11-9-6-5-8(14-9)10(12)13/h5-6,11H,2-4,7H2,1H3,(H,12,13)
InChIKeyXQGBVOMIPKFNDP-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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Frequently Asked Questions

What is the IUPAC name of 5-(pentylamino)thiophene-2-carboxylic acid?
The IUPAC name of 5-(pentylamino)thiophene-2-carboxylic acid (CID 70540510) is 5-(pentylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(pentylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(pentylamino)thiophene-2-carboxylic acid is CCCCCNc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(pentylamino)thiophene-2-carboxylic acid?
The InChIKey is XQGBVOMIPKFNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-4-7-11-9-6-5-8(14-9)10(12)13/h5-6,11H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 5-(pentylamino)thiophene-2-carboxylic acid?
5-(pentylamino)thiophene-2-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 5-(pentylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 70540510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).