4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide

C2H5NO4S — CID 141372312

IUPAC4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide
SMILESCCN1OS(=O)(=O)O1
InChIInChI=1S/C2H5NO4S/c1-2-3-6-8(4,5)7-3/h2H2,1H3
InChIKeyXJXCFRFCVNCPCR-UHFFFAOYSA-N
MW139.13 g/mol
LogP-0.57
Rot. Bonds1

About 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide

4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide (PubChem CID 141372312) has the molecular formula C2H5NO4S and a molecular weight of 139.13 g/mol. Its IUPAC name is 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide
PubChem CID141372312
Molecular FormulaC2H5NO4S
Molecular Weight139.13 g/mol
Exact Mass138.99
IUPAC Name4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide
SMILESCCN1OS(=O)(=O)O1
InChIInChI=1S/C2H5NO4S/c1-2-3-6-8(4,5)7-3/h2H2,1H3
InChIKeyXJXCFRFCVNCPCR-UHFFFAOYSA-N
XLogP-0.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide?
The IUPAC name of 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide (CID 141372312) is 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide.
What is the SMILES notation for 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide?
The canonical SMILES for 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide is CCN1OS(=O)(=O)O1.
What is the InChIKey of 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide?
The InChIKey is XJXCFRFCVNCPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S/c1-2-3-6-8(4,5)7-3/h2H2,1H3.
What are the key properties of 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide?
4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide has a molecular weight of 139.13 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,2,4-dioxathiazetidine 2,2-dioxide is sourced from PubChem (CID 141372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).