N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide

C8H9ClN2OS — CID 130005116

IUPACN-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide
SMILESCSc1nc(Cl)ccc1NC(C)=O
InChIInChI=1S/C8H9ClN2OS/c1-5(12)10-6-3-4-7(9)11-8(6)13-2/h3-4H,1-2H3,(H,10,12)
InChIKeyJJNCQRFOLFTHHD-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.42
Rot. Bonds2

About N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide

N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide (PubChem CID 130005116) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide
PubChem CID130005116
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC NameN-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide
SMILESCSc1nc(Cl)ccc1NC(C)=O
InChIInChI=1S/C8H9ClN2OS/c1-5(12)10-6-3-4-7(9)11-8(6)13-2/h3-4H,1-2H3,(H,10,12)
InChIKeyJJNCQRFOLFTHHD-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide 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 N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide?
The IUPAC name of N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide (CID 130005116) is N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide?
The canonical SMILES for N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide is CSc1nc(Cl)ccc1NC(C)=O.
What is the InChIKey of N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide?
The InChIKey is JJNCQRFOLFTHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-5(12)10-6-3-4-7(9)11-8(6)13-2/h3-4H,1-2H3,(H,10,12).
What are the key properties of N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide?
N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide has a molecular weight of 216.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methylsulfanyl-3-pyridinyl)acetamide is sourced from PubChem (CID 130005116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).