2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide

C9H19NO5S — CID 123756763

IUPAC2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide
SMILESCCC(C)(OCCOC)C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H19NO5S/c1-5-9(2,15-7-6-14-3)8(11)10-16(4,12)13/h5-7H2,1-4H3,(H,10,11)
InChIKeyFEXZIFGHVLSZAR-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.11
Rot. Bonds7

About 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide

2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide (PubChem CID 123756763) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide
PubChem CID123756763
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide
SMILESCCC(C)(OCCOC)C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H19NO5S/c1-5-9(2,15-7-6-14-3)8(11)10-16(4,12)13/h5-7H2,1-4H3,(H,10,11)
InChIKeyFEXZIFGHVLSZAR-UHFFFAOYSA-N
XLogP-0.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.11
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide (CID 123756763) is 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide is CCC(C)(OCCOC)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide?
The InChIKey is FEXZIFGHVLSZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-5-9(2,15-7-6-14-3)8(11)10-16(4,12)13/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide?
2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide has a molecular weight of 253.32 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-2-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 123756763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).