ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide

C9H21NO4S — CID 143459772

IUPACethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide
SMILESCC.COC(C(=O)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C7H15NO4S.C2H6/c1-5(2)6(12-3)7(9)8-13(4,10)11;1-2/h5-6H,1-4H3,(H,8,9);1-2H3
InChIKeyUBEVNNRRGDKULP-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.76
Rot. Bonds4

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

ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide (PubChem CID 143459772) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide.

Molecular Properties

Compound Nameethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide
PubChem CID143459772
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Nameethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide
SMILESCC.COC(C(=O)NS(C)(=O)=O)C(C)C
InChIInChI=1S/C7H15NO4S.C2H6/c1-5(2)6(12-3)7(9)8-13(4,10)11;1-2/h5-6H,1-4H3,(H,8,9);1-2H3
InChIKeyUBEVNNRRGDKULP-UHFFFAOYSA-N
XLogP0.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide?
The IUPAC name of ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide (CID 143459772) is ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide.
What is the SMILES notation for ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide?
The canonical SMILES for ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide is CC.COC(C(=O)NS(C)(=O)=O)C(C)C.
What is the InChIKey of ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide?
The InChIKey is UBEVNNRRGDKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S.C2H6/c1-5(2)6(12-3)7(9)8-13(4,10)11;1-2/h5-6H,1-4H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide?
ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide has a molecular weight of 239.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-3-methyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 143459772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).