2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide

C9H17NO5S2 — CID 79676127

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO5S2/c1-14-3-4-15-10-9(11)6-16-8-2-5-17(12,13)7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyDYSWEWRJVZUDEE-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.40
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide (PubChem CID 79676127) has the molecular formula C9H17NO5S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
PubChem CID79676127
Molecular FormulaC9H17NO5S2
Molecular Weight283.37 g/mol
Exact Mass283.05
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO5S2/c1-14-3-4-15-10-9(11)6-16-8-2-5-17(12,13)7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyDYSWEWRJVZUDEE-UHFFFAOYSA-N
XLogP-0.40
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
methyl 2-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406890
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 96525545
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methoxyethoxy)acetamide
CID 82723055
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750856
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide (CID 79676127) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide is COCCONC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide?
The InChIKey is DYSWEWRJVZUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S2/c1-14-3-4-15-10-9(11)6-16-8-2-5-17(12,13)7-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide has a molecular weight of 283.37 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79676127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).