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

C6H12N2O2S — CID 84655669

IUPACN-(azetidin-3-yl)-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)NC1CNC1
InChIInChI=1S/C6H12N2O2S/c1-11(10)4-6(9)8-5-2-7-3-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyLIOAYGDYZVCKTE-UHFFFAOYSA-N
MW176.24 g/mol
LogP-1.55
Rot. Bonds3

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

N-(azetidin-3-yl)-2-methylsulfinylacetamide (PubChem CID 84655669) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methylsulfinylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-methylsulfinylacetamide
PubChem CID84655669
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(azetidin-3-yl)-2-methylsulfinylacetamide
SMILESCS(=O)CC(=O)NC1CNC1
InChIInChI=1S/C6H12N2O2S/c1-11(10)4-6(9)8-5-2-7-3-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyLIOAYGDYZVCKTE-UHFFFAOYSA-N
XLogP-1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-methylsulfinylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-methylsulfinylacetamide (CID 84655669) is N-(azetidin-3-yl)-2-methylsulfinylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-methylsulfinylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-methylsulfinylacetamide is CS(=O)CC(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-methylsulfinylacetamide?
The InChIKey is LIOAYGDYZVCKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-11(10)4-6(9)8-5-2-7-3-5/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(azetidin-3-yl)-2-methylsulfinylacetamide?
N-(azetidin-3-yl)-2-methylsulfinylacetamide has a molecular weight of 176.24 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-methylsulfinylacetamide is sourced from PubChem (CID 84655669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).