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

C12H16N2O4S — CID 95160132

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
SMILESCN(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-13(10-5-7-19(17,18)9-10)12(16)8-14-6-3-2-4-11(14)15/h2-4,6,10H,5,7-9H2,1H3/t10-/m0/s1
InChIKeyGGOCPVIFANHDGM-JTQLQIEISA-N
MW284.34 g/mol
LogP-0.51
Rot. Bonds3

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

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 95160132) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID95160132
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
SMILESCN(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O4S/c1-13(10-5-7-19(17,18)9-10)12(16)8-14-6-3-2-4-11(14)15/h2-4,6,10H,5,7-9H2,1H3/t10-/m0/s1
InChIKeyGGOCPVIFANHDGM-JTQLQIEISA-N
XLogP-0.51
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide (CID 95160132) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide is CN(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is GGOCPVIFANHDGM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-13(10-5-7-19(17,18)9-10)12(16)8-14-6-3-2-4-11(14)15/h2-4,6,10H,5,7-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 95160132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).