2-(1-methylsulfonylazetidin-3-yl)acetamide

C6H12N2O3S — CID 89422771

IUPAC2-(1-methylsulfonylazetidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CC(CC(N)=O)C1
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)8-3-5(4-8)2-6(7)9/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyYHVWOZMHLVANAB-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.25
Rot. Bonds3

About 2-(1-methylsulfonylazetidin-3-yl)acetamide

2-(1-methylsulfonylazetidin-3-yl)acetamide (PubChem CID 89422771) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(1-methylsulfonylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylsulfonylazetidin-3-yl)acetamide
PubChem CID89422771
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-(1-methylsulfonylazetidin-3-yl)acetamide
SMILESCS(=O)(=O)N1CC(CC(N)=O)C1
InChIInChI=1S/C6H12N2O3S/c1-12(10,11)8-3-5(4-8)2-6(7)9/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyYHVWOZMHLVANAB-UHFFFAOYSA-N
XLogP-1.25
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylazetidin-3-yl)acetamide?
The IUPAC name of 2-(1-methylsulfonylazetidin-3-yl)acetamide (CID 89422771) is 2-(1-methylsulfonylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(1-methylsulfonylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(1-methylsulfonylazetidin-3-yl)acetamide is CS(=O)(=O)N1CC(CC(N)=O)C1.
What is the InChIKey of 2-(1-methylsulfonylazetidin-3-yl)acetamide?
The InChIKey is YHVWOZMHLVANAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-12(10,11)8-3-5(4-8)2-6(7)9/h5H,2-4H2,1H3,(H2,7,9).
What are the key properties of 2-(1-methylsulfonylazetidin-3-yl)acetamide?
2-(1-methylsulfonylazetidin-3-yl)acetamide has a molecular weight of 192.24 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylazetidin-3-yl)acetamide is sourced from PubChem (CID 89422771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).