2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide

C9H19NO4S — CID 59170462

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
SMILESCCC(OC(C)(C)C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-6-7(14-9(2,3)4)8(11)10-15(5,12)13/h7H,6H2,1-5H3,(H,10,11)
InChIKeyYKEIIJKPCBJGJS-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.66
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide

2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide (PubChem CID 59170462) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
PubChem CID59170462
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
SMILESCCC(OC(C)(C)C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-6-7(14-9(2,3)4)8(11)10-15(5,12)13/h7H,6H2,1-5H3,(H,10,11)
InChIKeyYKEIIJKPCBJGJS-UHFFFAOYSA-N
XLogP0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide (CID 59170462) is 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide is CCC(OC(C)(C)C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The InChIKey is YKEIIJKPCBJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-6-7(14-9(2,3)4)8(11)10-15(5,12)13/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide has a molecular weight of 237.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide is sourced from PubChem (CID 59170462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).