N-propan-2-ylsulfonylacetamide

C5H11NO3S — CID 18730103

IUPACN-propan-2-ylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C5H11NO3S/c1-4(2)10(8,9)6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKeyIGPYZJPGJDZQFH-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.14
Rot. Bonds2

About N-propan-2-ylsulfonylacetamide

N-propan-2-ylsulfonylacetamide (PubChem CID 18730103) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-propan-2-ylsulfonylacetamide
PubChem CID18730103
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-propan-2-ylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)C(C)C
InChIInChI=1S/C5H11NO3S/c1-4(2)10(8,9)6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKeyIGPYZJPGJDZQFH-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propan-2-ylsulfonylacetamide 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-propan-2-ylsulfonylacetamide?
The IUPAC name of N-propan-2-ylsulfonylacetamide (CID 18730103) is N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-propan-2-ylsulfonylacetamide is CC(=O)NS(=O)(=O)C(C)C.
What is the InChIKey of N-propan-2-ylsulfonylacetamide?
The InChIKey is IGPYZJPGJDZQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-4(2)10(8,9)6-5(3)7/h4H,1-3H3,(H,6,7).
What are the key properties of N-propan-2-ylsulfonylacetamide?
N-propan-2-ylsulfonylacetamide has a molecular weight of 165.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 18730103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).