2-methoxy-3-methyl-N-methylsulfonylbutanamide

C7H15NO4S — CID 143459773

IUPAC2-methoxy-3-methyl-N-methylsulfonylbutanamide
SMILESCOC(C(=O)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-5(2)6(12-3)7(9)8-13(4,10)11/h5-6H,1-4H3,(H,8,9)
InChIKeyJGQZUQGOEHHIAM-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.27
Rot. Bonds4

About 2-methoxy-3-methyl-N-methylsulfonylbutanamide

2-methoxy-3-methyl-N-methylsulfonylbutanamide (PubChem CID 143459773) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-methylsulfonylbutanamide
PubChem CID143459773
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-methoxy-3-methyl-N-methylsulfonylbutanamide
SMILESCOC(C(=O)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C7H15NO4S/c1-5(2)6(12-3)7(9)8-13(4,10)11/h5-6H,1-4H3,(H,8,9)
InChIKeyJGQZUQGOEHHIAM-UHFFFAOYSA-N
XLogP-0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-methoxy-3-methyl-N-methylsulfonylbutanamide (CID 143459773) is 2-methoxy-3-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-methoxy-3-methyl-N-methylsulfonylbutanamide is COC(C(=O)NS(C)(=O)=O)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-N-methylsulfonylbutanamide?
The InChIKey is JGQZUQGOEHHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)6(12-3)7(9)8-13(4,10)11/h5-6H,1-4H3,(H,8,9).
What are the key properties of 2-methoxy-3-methyl-N-methylsulfonylbutanamide?
2-methoxy-3-methyl-N-methylsulfonylbutanamide has a molecular weight of 209.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 143459773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).