(2-oxoazetidin-1-yl) sulfite

C3H4NO4S- — CID 57308877

IUPAC(2-oxoazetidin-1-yl) sulfite
SMILESO=C1CCN1OS(=O)[O-]
InChIInChI=1S/C3H5NO4S/c5-3-1-2-4(3)8-9(6)7/h1-2H2,(H,6,7)/p-1
InChIKeyFADHNLYIMOROAI-UHFFFAOYSA-M
MW150.13 g/mol
LogP-1.06
Rot. Bonds2

About (2-oxoazetidin-1-yl) sulfite

(2-oxoazetidin-1-yl) sulfite (PubChem CID 57308877) has the molecular formula C3H4NO4S- and a molecular weight of 150.13 g/mol. Its IUPAC name is (2-oxoazetidin-1-yl) sulfite.

Molecular Properties

Compound Name(2-oxoazetidin-1-yl) sulfite
PubChem CID57308877
Molecular FormulaC3H4NO4S-
Molecular Weight150.13 g/mol
Exact Mass149.99
IUPAC Name(2-oxoazetidin-1-yl) sulfite
SMILESO=C1CCN1OS(=O)[O-]
InChIInChI=1S/C3H5NO4S/c5-3-1-2-4(3)8-9(6)7/h1-2H2,(H,6,7)/p-1
InChIKeyFADHNLYIMOROAI-UHFFFAOYSA-M
XLogP-1.06
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl) sulfite
CID 122488985
1-ethoxyazetidin-2-one
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2-oxoazetidine-1-sulfinyl chloride
CID 20569487
(2-oxoazetidin-1-yl) 4-hydroxybutanoate
CID 86754919
CID 86087838
CID 86087838
1-silylazetidin-2-one
CID 71361238
sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione
CID 175003776
(2-oxopyrrolidin-1-yl) formate;silver
CID 87555007
1-phenoxypyrrolidin-2-one
CID 67175773
(3-amino-2-methyl-4-oxoazetidin-1-yl) sulfite
CID 174597454
(2-oxopyrrolidin-1-yl) hydrogen carbonate
CID 57473687
[5-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl] sulfite
CID 175100672

Frequently Asked Questions

What is the IUPAC name of (2-oxoazetidin-1-yl) sulfite?
The IUPAC name of (2-oxoazetidin-1-yl) sulfite (CID 57308877) is (2-oxoazetidin-1-yl) sulfite.
What is the SMILES notation for (2-oxoazetidin-1-yl) sulfite?
The canonical SMILES for (2-oxoazetidin-1-yl) sulfite is O=C1CCN1OS(=O)[O-].
What is the InChIKey of (2-oxoazetidin-1-yl) sulfite?
The InChIKey is FADHNLYIMOROAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NO4S/c5-3-1-2-4(3)8-9(6)7/h1-2H2,(H,6,7)/p-1.
What are the key properties of (2-oxoazetidin-1-yl) sulfite?
(2-oxoazetidin-1-yl) sulfite has a molecular weight of 150.13 g/mol, XLogP of -1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoazetidin-1-yl) sulfite is sourced from PubChem (CID 57308877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).