N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide

C11H15N3O4S — CID 110852790

IUPACN-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C11H15N3O4S/c1-8-4-11(13-7-12-8)18-5-10(15)14-9-2-3-19(16,17)6-9/h4,7,9H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyUENVXFHSCZIJAI-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.53
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide

N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide (PubChem CID 110852790) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide
PubChem CID110852790
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C11H15N3O4S/c1-8-4-11(13-7-12-8)18-5-10(15)14-9-2-3-19(16,17)6-9/h4,7,9H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyUENVXFHSCZIJAI-UHFFFAOYSA-N
XLogP-0.53
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3995796
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2467042
N-(1,1-dioxothiolan-3-yl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 11947642
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535906
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 78544557
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide (CID 110852790) is N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide is Cc1cc(OCC(=O)NC2CCS(=O)(=O)C2)ncn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide?
The InChIKey is UENVXFHSCZIJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-8-4-11(13-7-12-8)18-5-10(15)14-9-2-3-19(16,17)6-9/h4,7,9H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide has a molecular weight of 285.32 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(6-methylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 110852790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).