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

C10H21NO4S — CID 59170374

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
SMILESCC(C)C(OC(C)(C)C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-7(2)8(15-10(3,4)5)9(12)11-16(6,13)14/h7-8H,1-6H3,(H,11,12)
InChIKeyJZUOTVMKZQZDSF-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.90
Rot. Bonds4

About 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide

3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide (PubChem CID 59170374) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
PubChem CID59170374
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide
SMILESCC(C)C(OC(C)(C)C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-7(2)8(15-10(3,4)5)9(12)11-16(6,13)14/h7-8H,1-6H3,(H,11,12)
InChIKeyJZUOTVMKZQZDSF-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide (CID 59170374) is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide is CC(C)C(OC(C)(C)C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
The InChIKey is JZUOTVMKZQZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-7(2)8(15-10(3,4)5)9(12)11-16(6,13)14/h7-8H,1-6H3,(H,11,12).
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide?
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide has a molecular weight of 251.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylbutanamide is sourced from PubChem (CID 59170374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).