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

C8H10N2OS — CID 130710771

IUPACN-(6-methylsulfanyl-2-pyridinyl)acetamide
SMILESCSc1cccc(NC(C)=O)n1
InChIInChI=1S/C8H10N2OS/c1-6(11)9-7-4-3-5-8(10-7)12-2/h3-5H,1-2H3,(H,9,10,11)
InChIKeyZEUAGCVSJNDQDC-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.76
Rot. Bonds2

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

N-(6-methylsulfanyl-2-pyridinyl)acetamide (PubChem CID 130710771) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-(6-methylsulfanyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-methylsulfanyl-2-pyridinyl)acetamide
PubChem CID130710771
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-(6-methylsulfanyl-2-pyridinyl)acetamide
SMILESCSc1cccc(NC(C)=O)n1
InChIInChI=1S/C8H10N2OS/c1-6(11)9-7-4-3-5-8(10-7)12-2/h3-5H,1-2H3,(H,9,10,11)
InChIKeyZEUAGCVSJNDQDC-UHFFFAOYSA-N
XLogP1.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanyl-2-pyridinyl)acetamide?
The IUPAC name of N-(6-methylsulfanyl-2-pyridinyl)acetamide (CID 130710771) is N-(6-methylsulfanyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(6-methylsulfanyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(6-methylsulfanyl-2-pyridinyl)acetamide is CSc1cccc(NC(C)=O)n1.
What is the InChIKey of N-(6-methylsulfanyl-2-pyridinyl)acetamide?
The InChIKey is ZEUAGCVSJNDQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6(11)9-7-4-3-5-8(10-7)12-2/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of N-(6-methylsulfanyl-2-pyridinyl)acetamide?
N-(6-methylsulfanyl-2-pyridinyl)acetamide has a molecular weight of 182.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanyl-2-pyridinyl)acetamide is sourced from PubChem (CID 130710771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).