methyl 2-(azetidin-3-ylsulfonyl)acetate

C6H11NO4S — CID 68602018

IUPACmethyl 2-(azetidin-3-ylsulfonyl)acetate
SMILESCOC(=O)CS(=O)(=O)C1CNC1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)5-2-7-3-5/h5,7H,2-4H2,1H3
InChIKeyUOMAQJFLWNDGKX-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.45
Rot. Bonds3

About methyl 2-(azetidin-3-ylsulfonyl)acetate

methyl 2-(azetidin-3-ylsulfonyl)acetate (PubChem CID 68602018) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl 2-(azetidin-3-ylsulfonyl)acetate.

Molecular Properties

Compound Namemethyl 2-(azetidin-3-ylsulfonyl)acetate
PubChem CID68602018
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl 2-(azetidin-3-ylsulfonyl)acetate
SMILESCOC(=O)CS(=O)(=O)C1CNC1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)5-2-7-3-5/h5,7H,2-4H2,1H3
InChIKeyUOMAQJFLWNDGKX-UHFFFAOYSA-N
XLogP-1.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(azetidin-3-ylsulfonyl)acetate?
The IUPAC name of methyl 2-(azetidin-3-ylsulfonyl)acetate (CID 68602018) is methyl 2-(azetidin-3-ylsulfonyl)acetate.
What is the SMILES notation for methyl 2-(azetidin-3-ylsulfonyl)acetate?
The canonical SMILES for methyl 2-(azetidin-3-ylsulfonyl)acetate is COC(=O)CS(=O)(=O)C1CNC1.
What is the InChIKey of methyl 2-(azetidin-3-ylsulfonyl)acetate?
The InChIKey is UOMAQJFLWNDGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-11-6(8)4-12(9,10)5-2-7-3-5/h5,7H,2-4H2,1H3.
What are the key properties of methyl 2-(azetidin-3-ylsulfonyl)acetate?
methyl 2-(azetidin-3-ylsulfonyl)acetate has a molecular weight of 193.22 g/mol, XLogP of -1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-3-ylsulfonyl)acetate is sourced from PubChem (CID 68602018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).