2-(azetidin-3-yl)-N-methylsulfonylacetamide

C6H12N2O3S — CID 103287684

IUPAC2-(azetidin-3-yl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1CNC1
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)8-6(9)2-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyDWCWJSXBSLWGGG-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.33
Rot. Bonds3

About 2-(azetidin-3-yl)-N-methylsulfonylacetamide

2-(azetidin-3-yl)-N-methylsulfonylacetamide (PubChem CID 103287684) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methylsulfonylacetamide
PubChem CID103287684
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-(azetidin-3-yl)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1CNC1
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)8-6(9)2-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyDWCWJSXBSLWGGG-UHFFFAOYSA-N
XLogP-1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[dimethyl(oxo)-lambda6-sulfanylidene]-2-fluoroacetamide
CID 130594826
(2R)-4-amino-2-methyl-N-methylsulfonylbutanamide
CID 88216212
2-(1-Methylsulfonylazetidin-3-yl)acetamide
CID 89422771
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045
N-methanesulfonylazetidine-3-carboxamide
CID 118541363
3-(azetidin-3-yl)-N-methylsulfonylpropanamide
CID 138689703
2-(azetidin-3-yl)-N-methylsulfinylacetamide
CID 138720233
3-(azetidin-1-ium-3-yl)-N-methylsulfonylpropanamide
CID 142605855
2-(azetidin-1-ium-3-yl)-N-methylsulfinylacetamide
CID 142605953
2-(1-Ethenylsulfonylazetidin-3-yl)acetamide
CID 154944952
N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]acetamide
CID 155154970
2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide
CID 164739919

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methylsulfonylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-methylsulfonylacetamide (CID 103287684) is 2-(azetidin-3-yl)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methylsulfonylacetamide?
The InChIKey is DWCWJSXBSLWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-12(10,11)8-6(9)2-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(azetidin-3-yl)-N-methylsulfonylacetamide?
2-(azetidin-3-yl)-N-methylsulfonylacetamide has a molecular weight of 192.24 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methylsulfonylacetamide is sourced from PubChem (CID 103287684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).