2-methylsulfonyl-N-(2-oxopropyl)acetamide

C6H11NO4S — CID 64996729

IUPAC2-methylsulfonyl-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H11NO4S/c1-5(8)3-7-6(9)4-12(2,10)11/h3-4H2,1-2H3,(H,7,9)
InChIKeyDAGONNCBRFKRLO-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.26
Rot. Bonds4

About 2-methylsulfonyl-N-(2-oxopropyl)acetamide

2-methylsulfonyl-N-(2-oxopropyl)acetamide (PubChem CID 64996729) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-oxopropyl)acetamide
PubChem CID64996729
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-methylsulfonyl-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H11NO4S/c1-5(8)3-7-6(9)4-12(2,10)11/h3-4H2,1-2H3,(H,7,9)
InChIKeyDAGONNCBRFKRLO-UHFFFAOYSA-N
XLogP-1.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(2-oxopropyl)acetamide (CID 64996729) is 2-methylsulfonyl-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(2-oxopropyl)acetamide?
The InChIKey is DAGONNCBRFKRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-5(8)3-7-6(9)4-12(2,10)11/h3-4H2,1-2H3,(H,7,9).
What are the key properties of 2-methylsulfonyl-N-(2-oxopropyl)acetamide?
2-methylsulfonyl-N-(2-oxopropyl)acetamide has a molecular weight of 193.22 g/mol, XLogP of -1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 64996729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).