2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide

C10H21NO4S — CID 137483146

IUPAC2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)(C)COC(C)(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-9(2,3)7-15-10(4,5)8(12)11-16(6,13)14/h7H2,1-6H3,(H,11,12)
InChIKeyNSGRHPFGRYNVPW-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.90
Rot. Bonds4

About 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide

2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide (PubChem CID 137483146) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide
PubChem CID137483146
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)(C)COC(C)(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-9(2,3)7-15-10(4,5)8(12)11-16(6,13)14/h7H2,1-6H3,(H,11,12)
InChIKeyNSGRHPFGRYNVPW-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 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide?
The IUPAC name of 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide (CID 137483146) is 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide is CC(C)(C)COC(C)(C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide?
The InChIKey is NSGRHPFGRYNVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9(2,3)7-15-10(4,5)8(12)11-16(6,13)14/h7H2,1-6H3,(H,11,12).
What are the key properties of 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide?
2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide 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 2-(2,2-dimethylpropoxy)-2-methyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 137483146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).