2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid

C11H20N2O3S — CID 63957705

IUPAC2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESCSCCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-17-7-5-12-11(16)13-6-3-2-4-9(13)8-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyZEDJNBCZDCVZFN-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.39
Rot. Bonds5

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

2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 63957705) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID63957705
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESCSCCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-17-7-5-12-11(16)13-6-3-2-4-9(13)8-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyZEDJNBCZDCVZFN-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(2-methylsulfanylethylcarbamoyl)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-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid (CID 63957705) is 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid is CSCCNC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is ZEDJNBCZDCVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-17-7-5-12-11(16)13-6-3-2-4-9(13)8-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 260.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfanylethylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 63957705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).