2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide

C16H19N3O3S — CID 95279452

IUPAC2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide
SMILESCN(CC(=O)Nc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O3S/c1-19(14-6-8-23(21,22)11-14)10-16(20)18-13-4-5-15-12(9-13)3-2-7-17-15/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyIYJSCTLKXUVRLV-CQSZACIVSA-N
MW333.41 g/mol
LogP1.29
Rot. Bonds4

About 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide

2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide (PubChem CID 95279452) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide
PubChem CID95279452
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide
SMILESCN(CC(=O)Nc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O3S/c1-19(14-6-8-23(21,22)11-14)10-16(20)18-13-4-5-15-12(9-13)3-2-7-17-15/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyIYJSCTLKXUVRLV-CQSZACIVSA-N
XLogP1.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
N-(2-benzyl-3H-benzimidazol-5-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 92626778
N-(2-benzyl-3H-benzimidazol-5-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 46977451
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 18191472
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 9115993
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938
N-(1-cyclohexylbenzimidazol-5-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 92612361
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(1-ethyl-2-methylindol-5-yl)acetamide
CID 131921817
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 8894925

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide (CID 95279452) is 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide is CN(CC(=O)Nc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide?
The InChIKey is IYJSCTLKXUVRLV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19(14-6-8-23(21,22)11-14)10-16(20)18-13-4-5-15-12(9-13)3-2-7-17-15/h2-5,7,9,14H,6,8,10-11H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide?
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide has a molecular weight of 333.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 95279452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).