2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide

C7H15NO5S — CID 82181706

IUPAC2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)CCO
InChIInChI=1S/C7H15NO5S/c1-13-4-2-8-7(10)6-14(11,12)5-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyDWKOLQNWMYUYPH-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.84
Rot. Bonds7

About 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide

2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide (PubChem CID 82181706) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
PubChem CID82181706
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)CCO
InChIInChI=1S/C7H15NO5S/c1-13-4-2-8-7(10)6-14(11,12)5-3-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyDWKOLQNWMYUYPH-UHFFFAOYSA-N
XLogP-1.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 82182564
2-(cyanomethylsulfonyl)-N-(2-methoxyethyl)acetamide
CID 82180952
N-butyl-2-(2-hydroxyethylsulfonyl)acetamide
CID 82181707
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide
CID 82181995
methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate
CID 107776835
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
N-propyl-2-propylsulfonylacetamide
CID 86989509
methyl 3-[2-(2-aminoethylamino)-2-oxoethyl]sulfonylpropanoate
CID 64697428
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
(2S)-3-hydroxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405676

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide (CID 82181706) is 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CS(=O)(=O)CCO.
What is the InChIKey of 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is DWKOLQNWMYUYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-13-4-2-8-7(10)6-14(11,12)5-3-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide?
2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 225.27 g/mol, XLogP of -1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfonyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 82181706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).