2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone

C11H15NO4S — CID 43227354

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
SMILESCN(CC(=O)c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO4S/c1-12(9-4-6-17(14,15)8-9)7-10(13)11-3-2-5-16-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyKIIYOMJYLGTKQL-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.58
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone (PubChem CID 43227354) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
PubChem CID43227354
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
SMILESCN(CC(=O)c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO4S/c1-12(9-4-6-17(14,15)8-9)7-10(13)11-3-2-5-16-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyKIIYOMJYLGTKQL-UHFFFAOYSA-N
XLogP0.58
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
1-(1-benzofuran-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 43797742
1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 55005039
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-propylphenyl)ethanone
CID 43227373
2-[cyclopentyl(ethyl)amino]-1-(furan-2-yl)ethanone
CID 43796327
1-(3,4-dihydroxyphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 43234725
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 125179712
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108989783
N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 109026593
N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 78871349
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527228
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]furan-2-carboxamide
CID 7378482

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone (CID 43227354) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone is CN(CC(=O)c1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone?
The InChIKey is KIIYOMJYLGTKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-12(9-4-6-17(14,15)8-9)7-10(13)11-3-2-5-16-11/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone has a molecular weight of 257.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 43227354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).