2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide

C13H16N2O2S — CID 62898689

IUPAC2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
SMILESCSc1ccccc1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)13(17)15-9-6-7-12(16)14-8-9/h2-5,9H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyVABMNJOOEKBYLB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.42
Rot. Bonds3

About 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide

2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 62898689) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID62898689
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide
SMILESCSc1ccccc1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)13(17)15-9-6-7-12(16)14-8-9/h2-5,9H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyVABMNJOOEKBYLB-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide 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-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide (CID 62898689) is 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide is CSc1ccccc1C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is VABMNJOOEKBYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-10(11)13(17)15-9-6-7-12(16)14-8-9/h2-5,9H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide?
2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 264.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62898689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).