2-(thiophen-2-ylmethylamino)benzoic acid

C12H11NO2S — CID 6472859

IUPAC2-(thiophen-2-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccccc1NCc1cccs1
InChIInChI=1S/C12H11NO2S/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)
InChIKeyUUIJUBCAVOCEEX-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.06
Rot. Bonds4

About 2-(thiophen-2-ylmethylamino)benzoic acid

2-(thiophen-2-ylmethylamino)benzoic acid (PubChem CID 6472859) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylamino)benzoic acid
PubChem CID6472859
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(thiophen-2-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccccc1NCc1cccs1
InChIInChI=1S/C12H11NO2S/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)
InChIKeyUUIJUBCAVOCEEX-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylamino)benzoic acid?
The IUPAC name of 2-(thiophen-2-ylmethylamino)benzoic acid (CID 6472859) is 2-(thiophen-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-(thiophen-2-ylmethylamino)benzoic acid?
The canonical SMILES for 2-(thiophen-2-ylmethylamino)benzoic acid is O=C(O)c1ccccc1NCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylamino)benzoic acid?
The InChIKey is UUIJUBCAVOCEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15).
What are the key properties of 2-(thiophen-2-ylmethylamino)benzoic acid?
2-(thiophen-2-ylmethylamino)benzoic acid has a molecular weight of 233.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 6472859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).