2-ethoxy-3-methyl-N-methylsulfonylbutanamide

C8H17NO4S — CID 89150283

IUPAC2-ethoxy-3-methyl-N-methylsulfonylbutanamide
SMILESCCOC(C(=O)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H17NO4S/c1-5-13-7(6(2)3)8(10)9-14(4,11)12/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeyFBYIMDJOVGZUQW-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.12
Rot. Bonds5

About 2-ethoxy-3-methyl-N-methylsulfonylbutanamide

2-ethoxy-3-methyl-N-methylsulfonylbutanamide (PubChem CID 89150283) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-ethoxy-3-methyl-N-methylsulfonylbutanamide
PubChem CID89150283
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-ethoxy-3-methyl-N-methylsulfonylbutanamide
SMILESCCOC(C(=O)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C8H17NO4S/c1-5-13-7(6(2)3)8(10)9-14(4,11)12/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeyFBYIMDJOVGZUQW-UHFFFAOYSA-N
XLogP0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-N-methylsulfonylbutanamide?
The IUPAC name of 2-ethoxy-3-methyl-N-methylsulfonylbutanamide (CID 89150283) is 2-ethoxy-3-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-ethoxy-3-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for 2-ethoxy-3-methyl-N-methylsulfonylbutanamide is CCOC(C(=O)NS(C)(=O)=O)C(C)C.
What is the InChIKey of 2-ethoxy-3-methyl-N-methylsulfonylbutanamide?
The InChIKey is FBYIMDJOVGZUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-5-13-7(6(2)3)8(10)9-14(4,11)12/h6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-ethoxy-3-methyl-N-methylsulfonylbutanamide?
2-ethoxy-3-methyl-N-methylsulfonylbutanamide has a molecular weight of 223.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 89150283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).