2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid

C9H15NO3S — CID 822179

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO3S/c11-8(6-14-7-9(12)13)10-4-2-1-3-5-10/h1-7H2,(H,12,13)
InChIKeyFKLFIGFFMAEGRD-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.82
Rot. Bonds4

About 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid

2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid (PubChem CID 822179) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid
PubChem CID822179
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO3S/c11-8(6-14-7-9(12)13)10-4-2-1-3-5-10/h1-7H2,(H,12,13)
InChIKeyFKLFIGFFMAEGRD-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic 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-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid (CID 822179) is 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid is O=C(O)CSCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid?
The InChIKey is FKLFIGFFMAEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-8(6-14-7-9(12)13)10-4-2-1-3-5-10/h1-7H2,(H,12,13).
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid?
2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid has a molecular weight of 217.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetic acid is sourced from PubChem (CID 822179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).