2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide

C12H17N3O3S — CID 47164063

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
SMILESCN(CC(=O)Nc1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O3S/c1-15(10-5-7-19(17,18)9-10)8-12(16)14-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9H2,1H3,(H,13,14,16)
InChIKeyKKXLYGDEWHOQEE-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.14
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide (PubChem CID 47164063) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
PubChem CID47164063
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
SMILESCN(CC(=O)Nc1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O3S/c1-15(10-5-7-19(17,18)9-10)8-12(16)14-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9H2,1H3,(H,13,14,16)
InChIKeyKKXLYGDEWHOQEE-UHFFFAOYSA-N
XLogP0.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 47131087
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide
CID 95279452
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 42917926
N-(3,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 29112590
1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-[3-(pyridin-2-ylamino)propyl]urea
CID 94173433
N-(2,3-dichlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191468
methyl 4-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]amino]benzoate
CID 109001862
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-quinolin-8-yloxyethyl)acetamide
CID 131919717

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide (CID 47164063) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide is CN(CC(=O)Nc1ccccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide?
The InChIKey is KKXLYGDEWHOQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-15(10-5-7-19(17,18)9-10)8-12(16)14-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9H2,1H3,(H,13,14,16).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide has a molecular weight of 283.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 47164063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).