N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide

C12H16N2O4S — CID 47106518

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCC1(NC(=O)Cn2ccccc2=O)CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-12(5-7-19(17,18)9-12)13-10(15)8-14-6-3-2-4-11(14)16/h2-4,6H,5,7-9H2,1H3,(H,13,15)
InChIKeyTXDZJFHJAMFYCH-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.46
Rot. Bonds3

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 47106518) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID47106518
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCC1(NC(=O)Cn2ccccc2=O)CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-12(5-7-19(17,18)9-12)13-10(15)8-14-6-3-2-4-11(14)16/h2-4,6H,5,7-9H2,1H3,(H,13,15)
InChIKeyTXDZJFHJAMFYCH-UHFFFAOYSA-N
XLogP-0.46
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide (CID 47106518) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide is CC1(NC(=O)Cn2ccccc2=O)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is TXDZJFHJAMFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(5-7-19(17,18)9-12)13-10(15)8-14-6-3-2-4-11(14)16/h2-4,6H,5,7-9H2,1H3,(H,13,15).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 47106518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).