8-(thiophene-2-carbonylamino)octanoic acid

C13H19NO3S — CID 10635685

IUPAC8-(thiophene-2-carbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C13H19NO3S/c15-12(16)8-4-2-1-3-5-9-14-13(17)11-7-6-10-18-11/h6-7,10H,1-5,8-9H2,(H,14,17)(H,15,16)
InChIKeyQBOKYPOFPATAKA-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.90
Rot. Bonds9

About 8-(thiophene-2-carbonylamino)octanoic acid

8-(thiophene-2-carbonylamino)octanoic acid (PubChem CID 10635685) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 8-(thiophene-2-carbonylamino)octanoic acid.

Molecular Properties

Compound Name8-(thiophene-2-carbonylamino)octanoic acid
PubChem CID10635685
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name8-(thiophene-2-carbonylamino)octanoic acid
SMILESO=C(O)CCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C13H19NO3S/c15-12(16)8-4-2-1-3-5-9-14-13(17)11-7-6-10-18-11/h6-7,10H,1-5,8-9H2,(H,14,17)(H,15,16)
InChIKeyQBOKYPOFPATAKA-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.90
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 8-(thiophene-2-carbonylamino)octanoic acid?
The IUPAC name of 8-(thiophene-2-carbonylamino)octanoic acid (CID 10635685) is 8-(thiophene-2-carbonylamino)octanoic acid.
What is the SMILES notation for 8-(thiophene-2-carbonylamino)octanoic acid?
The canonical SMILES for 8-(thiophene-2-carbonylamino)octanoic acid is O=C(O)CCCCCCCNC(=O)c1cccs1.
What is the InChIKey of 8-(thiophene-2-carbonylamino)octanoic acid?
The InChIKey is QBOKYPOFPATAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c15-12(16)8-4-2-1-3-5-9-14-13(17)11-7-6-10-18-11/h6-7,10H,1-5,8-9H2,(H,14,17)(H,15,16).
What are the key properties of 8-(thiophene-2-carbonylamino)octanoic acid?
8-(thiophene-2-carbonylamino)octanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiophene-2-carbonylamino)octanoic acid is sourced from PubChem (CID 10635685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).