2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C12H19N3O3S — CID 67565362

IUPAC2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCCCCS(=O)Nc1ccc(C)n(CC(N)=O)c1=O
InChIInChI=1S/C12H19N3O3S/c1-3-4-7-19(18)14-10-6-5-9(2)15(12(10)17)8-11(13)16/h5-6,14H,3-4,7-8H2,1-2H3,(H2,13,16)
InChIKeySSNSIVOVKACWPT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.52
Rot. Bonds7

About 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 67565362) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID67565362
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCCCCS(=O)Nc1ccc(C)n(CC(N)=O)c1=O
InChIInChI=1S/C12H19N3O3S/c1-3-4-7-19(18)14-10-6-5-9(2)15(12(10)17)8-11(13)16/h5-6,14H,3-4,7-8H2,1-2H3,(H2,13,16)
InChIKeySSNSIVOVKACWPT-UHFFFAOYSA-N
XLogP0.52
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 67565362) is 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is CCCCS(=O)Nc1ccc(C)n(CC(N)=O)c1=O.
What is the InChIKey of 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is SSNSIVOVKACWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-4-7-19(18)14-10-6-5-9(2)15(12(10)17)8-11(13)16/h5-6,14H,3-4,7-8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butylsulfinylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 67565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).