2-(1,1-dioxothiazetidin-2-yl)ethanol

C4H9NO3S — CID 12959041

IUPAC2-(1,1-dioxothiazetidin-2-yl)ethanol
SMILESO=S1(=O)CCN1CCO
InChIInChI=1S/C4H9NO3S/c6-3-1-5-2-4-9(5,7)8/h6H,1-4H2
InChIKeyMVCXIEJQVSEILY-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.38
Rot. Bonds2

About 2-(1,1-dioxothiazetidin-2-yl)ethanol

2-(1,1-dioxothiazetidin-2-yl)ethanol (PubChem CID 12959041) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-(1,1-dioxothiazetidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiazetidin-2-yl)ethanol
PubChem CID12959041
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name2-(1,1-dioxothiazetidin-2-yl)ethanol
SMILESO=S1(=O)CCN1CCO
InChIInChI=1S/C4H9NO3S/c6-3-1-5-2-4-9(5,7)8/h6H,1-4H2
InChIKeyMVCXIEJQVSEILY-UHFFFAOYSA-N
XLogP-1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazetidin-2-yl)ethanol?
The IUPAC name of 2-(1,1-dioxothiazetidin-2-yl)ethanol (CID 12959041) is 2-(1,1-dioxothiazetidin-2-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxothiazetidin-2-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxothiazetidin-2-yl)ethanol is O=S1(=O)CCN1CCO.
What is the InChIKey of 2-(1,1-dioxothiazetidin-2-yl)ethanol?
The InChIKey is MVCXIEJQVSEILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c6-3-1-5-2-4-9(5,7)8/h6H,1-4H2.
What are the key properties of 2-(1,1-dioxothiazetidin-2-yl)ethanol?
2-(1,1-dioxothiazetidin-2-yl)ethanol has a molecular weight of 151.19 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazetidin-2-yl)ethanol is sourced from PubChem (CID 12959041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).