2-methyl-N-methylsulfonylpropanamide

C5H11NO3S — CID 18730055

IUPAC2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-4(2)5(7)6-10(3,8)9/h4H,1-3H3,(H,6,7)
InChIKeyIDAXQFBVXIUWCN-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.28
Rot. Bonds2

About 2-methyl-N-methylsulfonylpropanamide

2-methyl-N-methylsulfonylpropanamide (PubChem CID 18730055) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-methyl-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-methylsulfonylpropanamide
PubChem CID18730055
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-4(2)5(7)6-10(3,8)9/h4H,1-3H3,(H,6,7)
InChIKeyIDAXQFBVXIUWCN-UHFFFAOYSA-N
XLogP-0.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylsulfonylpropanamide?
The IUPAC name of 2-methyl-N-methylsulfonylpropanamide (CID 18730055) is 2-methyl-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-methylsulfonylpropanamide?
The canonical SMILES for 2-methyl-N-methylsulfonylpropanamide is CC(C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-methylsulfonylpropanamide?
The InChIKey is IDAXQFBVXIUWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-4(2)5(7)6-10(3,8)9/h4H,1-3H3,(H,6,7).
What are the key properties of 2-methyl-N-methylsulfonylpropanamide?
2-methyl-N-methylsulfonylpropanamide has a molecular weight of 165.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 18730055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).