2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid

C15H18FNO3S — CID 61009683

IUPAC2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CSc1ccccc1F
InChIInChI=1S/C15H18FNO3S/c16-12-6-1-2-7-13(12)21-10-14(18)17-8-4-3-5-11(17)9-15(19)20/h1-2,6-7,11H,3-5,8-10H2,(H,19,20)
InChIKeyFUJSPJYILMHZML-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid

2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid (PubChem CID 61009683) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
PubChem CID61009683
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CSc1ccccc1F
InChIInChI=1S/C15H18FNO3S/c16-12-6-1-2-7-13(12)21-10-14(18)17-8-4-3-5-11(17)9-15(19)20/h1-2,6-7,11H,3-5,8-10H2,(H,19,20)
InChIKeyFUJSPJYILMHZML-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid (CID 61009683) is 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)CSc1ccccc1F.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
The InChIKey is FUJSPJYILMHZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-12-6-1-2-7-13(12)21-10-14(18)17-8-4-3-5-11(17)9-15(19)20/h1-2,6-7,11H,3-5,8-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenyl)sulfanylacetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).