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

C7H15NO4S — CID 58895987

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
SMILESCC(C)(C)OCC(=O)NS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)12-5-6(9)8-13(4,10)11/h5H2,1-4H3,(H,8,9)
InChIKeySFDMZMZDECUUIX-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.12
Rot. Bonds3

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

2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide (PubChem CID 58895987) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
PubChem CID58895987
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
SMILESCC(C)(C)OCC(=O)NS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)12-5-6(9)8-13(4,10)11/h5H2,1-4H3,(H,8,9)
InChIKeySFDMZMZDECUUIX-UHFFFAOYSA-N
XLogP-0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-methylsulfonylurea
CID 134195371
N-[2-(dimethylamino)-2-methylpropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604358
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[(2R)-2-aminocyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147487636
N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 58062415
N-[2-(ethylsulfamoyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944363
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949812
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide (CID 58895987) is 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide is CC(C)(C)OCC(=O)NS(C)(=O)=O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide?
The InChIKey is SFDMZMZDECUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,3)12-5-6(9)8-13(4,10)11/h5H2,1-4H3,(H,8,9).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide?
2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide has a molecular weight of 209.27 g/mol, XLogP of -0.12, 3 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-methylsulfonylacetamide is sourced from PubChem (CID 58895987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).