2-methylsulfonylpropanamide

C4H9NO3S — CID 18914682

IUPAC2-methylsulfonylpropanamide
SMILESCC(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C4H9NO3S/c1-3(4(5)6)9(2,7)8/h3H,1-2H3,(H2,5,6)
InChIKeyULDGNHFJXLGIJP-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.10
Rot. Bonds2

About 2-methylsulfonylpropanamide

2-methylsulfonylpropanamide (PubChem CID 18914682) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-methylsulfonylpropanamide
PubChem CID18914682
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name2-methylsulfonylpropanamide
SMILESCC(C(N)=O)S(C)(=O)=O
InChIInChI=1S/C4H9NO3S/c1-3(4(5)6)9(2,7)8/h3H,1-2H3,(H2,5,6)
InChIKeyULDGNHFJXLGIJP-UHFFFAOYSA-N
XLogP-1.10
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpropanamide?
The IUPAC name of 2-methylsulfonylpropanamide (CID 18914682) is 2-methylsulfonylpropanamide.
What is the SMILES notation for 2-methylsulfonylpropanamide?
The canonical SMILES for 2-methylsulfonylpropanamide is CC(C(N)=O)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpropanamide?
The InChIKey is ULDGNHFJXLGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-3(4(5)6)9(2,7)8/h3H,1-2H3,(H2,5,6).
What are the key properties of 2-methylsulfonylpropanamide?
2-methylsulfonylpropanamide has a molecular weight of 151.19 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpropanamide is sourced from PubChem (CID 18914682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).