N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide

C8H10N2O2S — CID 54541811

IUPACN-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
SMILESCC(=O)N(C)n1ccc(S)cc1=O
InChIInChI=1S/C8H10N2O2S/c1-6(11)9(2)10-4-3-7(13)5-8(10)12/h3-5,13H,1-2H3
InChIKeyZDSYNBSHOJIMKL-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.25
Rot. Bonds1

About N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide

N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide (PubChem CID 54541811) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
PubChem CID54541811
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide
SMILESCC(=O)N(C)n1ccc(S)cc1=O
InChIInChI=1S/C8H10N2O2S/c1-6(11)9(2)10-4-3-7(13)5-8(10)12/h3-5,13H,1-2H3
InChIKeyZDSYNBSHOJIMKL-UHFFFAOYSA-N
XLogP0.25
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
The IUPAC name of N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide (CID 54541811) is N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
The canonical SMILES for N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide is CC(=O)N(C)n1ccc(S)cc1=O.
What is the InChIKey of N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
The InChIKey is ZDSYNBSHOJIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-6(11)9(2)10-4-3-7(13)5-8(10)12/h3-5,13H,1-2H3.
What are the key properties of N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide?
N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide has a molecular weight of 198.25 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-4-sulfanyl-1-pyridinyl)acetamide is sourced from PubChem (CID 54541811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).