N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide

C10H19NO5S — CID 103719047

IUPACN-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO5S/c1-15-4-5-16-8-10(12)11-9-2-6-17(13,14)7-3-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyXYELADVVCJOQSZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.66
Rot. Bonds6

About N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide

N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103719047) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID103719047
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC NameN-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO5S/c1-15-4-5-16-8-10(12)11-9-2-6-17(13,14)7-3-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyXYELADVVCJOQSZ-UHFFFAOYSA-N
XLogP-0.66
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 113428949
N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557795
N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane
CID 164909794
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
CID 112752762
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
2-(4-aminophenoxy)-N-(1,1-dioxothian-4-yl)acetamide
CID 61102889

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide (CID 103719047) is N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is XYELADVVCJOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-15-4-5-16-8-10(12)11-9-2-6-17(13,14)7-3-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide?
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 265.33 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103719047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).