N-(2-hydroxypropyl)-3-methylsulfonylpropanamide

C7H15NO4S — CID 43428111

IUPACN-(2-hydroxypropyl)-3-methylsulfonylpropanamide
SMILESCC(O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-6(9)5-8-7(10)3-4-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyCQZLLIAKAWAIFP-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds5

About N-(2-hydroxypropyl)-3-methylsulfonylpropanamide

N-(2-hydroxypropyl)-3-methylsulfonylpropanamide (PubChem CID 43428111) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-methylsulfonylpropanamide
PubChem CID43428111
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-(2-hydroxypropyl)-3-methylsulfonylpropanamide
SMILESCC(O)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-6(9)5-8-7(10)3-4-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyCQZLLIAKAWAIFP-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxypropyl)-3-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 N-(2-hydroxypropyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxypropyl)-3-methylsulfonylpropanamide (CID 43428111) is N-(2-hydroxypropyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-methylsulfonylpropanamide is CC(O)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxypropyl)-3-methylsulfonylpropanamide?
The InChIKey is CQZLLIAKAWAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(9)5-8-7(10)3-4-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(2-hydroxypropyl)-3-methylsulfonylpropanamide?
N-(2-hydroxypropyl)-3-methylsulfonylpropanamide has a molecular weight of 209.27 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 43428111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).