2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide

C9H9N3OS — CID 765315

IUPAC2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C9H9N3OS/c1-6-2-3-7(4-10)9(12-6)14-5-8(11)13/h2-3H,5H2,1H3,(H2,11,13)
InChIKeyHQZZYMJCGOGCSS-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.84
Rot. Bonds3

About 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide

2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 765315) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID765315
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCc1ccc(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C9H9N3OS/c1-6-2-3-7(4-10)9(12-6)14-5-8(11)13/h2-3H,5H2,1H3,(H2,11,13)
InChIKeyHQZZYMJCGOGCSS-UHFFFAOYSA-N
XLogP0.84
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide (CID 765315) is 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide is Cc1ccc(C#N)c(SCC(N)=O)n1.
What is the InChIKey of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is HQZZYMJCGOGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-2-3-7(4-10)9(12-6)14-5-8(11)13/h2-3H,5H2,1H3,(H2,11,13).
What are the key properties of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide?
2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 207.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 765315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).