N-(2-hydroxypropyl)-2-methylsulfonylacetamide

C6H13NO4S — CID 61343344

IUPACN-(2-hydroxypropyl)-2-methylsulfonylacetamide
SMILESCC(O)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-5(8)3-7-6(9)4-12(2,10)11/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyMHWASKPXRUEYDV-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.47
Rot. Bonds4

About N-(2-hydroxypropyl)-2-methylsulfonylacetamide

N-(2-hydroxypropyl)-2-methylsulfonylacetamide (PubChem CID 61343344) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-methylsulfonylacetamide
PubChem CID61343344
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(2-hydroxypropyl)-2-methylsulfonylacetamide
SMILESCC(O)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-5(8)3-7-6(9)4-12(2,10)11/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyMHWASKPXRUEYDV-UHFFFAOYSA-N
XLogP-1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxypropyl)-2-methylsulfonylacetamide 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)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-methylsulfonylacetamide (CID 61343344) is N-(2-hydroxypropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-methylsulfonylacetamide is CC(O)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxypropyl)-2-methylsulfonylacetamide?
The InChIKey is MHWASKPXRUEYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(8)3-7-6(9)4-12(2,10)11/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(2-hydroxypropyl)-2-methylsulfonylacetamide?
N-(2-hydroxypropyl)-2-methylsulfonylacetamide has a molecular weight of 195.24 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61343344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).