2-(oxetan-3-yl)ethanesulfonyl chloride

C5H9ClO3S — CID 86656335

IUPAC2-(oxetan-3-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1COC1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)2-1-5-3-9-4-5/h5H,1-4H2
InChIKeyKPASGTSMZVDTKZ-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.59
Rot. Bonds3

About 2-(oxetan-3-yl)ethanesulfonyl chloride

2-(oxetan-3-yl)ethanesulfonyl chloride (PubChem CID 86656335) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is 2-(oxetan-3-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(oxetan-3-yl)ethanesulfonyl chloride
PubChem CID86656335
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Name2-(oxetan-3-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1COC1
InChIInChI=1S/C5H9ClO3S/c6-10(7,8)2-1-5-3-9-4-5/h5H,1-4H2
InChIKeyKPASGTSMZVDTKZ-UHFFFAOYSA-N
XLogP0.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(oxetan-3-yl)ethanesulfonyl chloride (CID 86656335) is 2-(oxetan-3-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(oxetan-3-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(oxetan-3-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1COC1.
What is the InChIKey of 2-(oxetan-3-yl)ethanesulfonyl chloride?
The InChIKey is KPASGTSMZVDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c6-10(7,8)2-1-5-3-9-4-5/h5H,1-4H2.
What are the key properties of 2-(oxetan-3-yl)ethanesulfonyl chloride?
2-(oxetan-3-yl)ethanesulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)ethanesulfonyl chloride is sourced from PubChem (CID 86656335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).