2-(oxetan-3-yloxy)ethanesulfonyl chloride

C5H9ClO4S — CID 102608496

IUPAC2-(oxetan-3-yloxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOC1COC1
InChIInChI=1S/C5H9ClO4S/c6-11(7,8)2-1-10-5-3-9-4-5/h5H,1-4H2
InChIKeyKNIGUSGQMKQBLZ-UHFFFAOYSA-N
MW200.64 g/mol
LogP-0.03
Rot. Bonds4

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

2-(oxetan-3-yloxy)ethanesulfonyl chloride (PubChem CID 102608496) has the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-(oxetan-3-yloxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(oxetan-3-yloxy)ethanesulfonyl chloride
PubChem CID102608496
Molecular FormulaC5H9ClO4S
Molecular Weight200.64 g/mol
Exact Mass199.99
IUPAC Name2-(oxetan-3-yloxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOC1COC1
InChIInChI=1S/C5H9ClO4S/c6-11(7,8)2-1-10-5-3-9-4-5/h5H,1-4H2
InChIKeyKNIGUSGQMKQBLZ-UHFFFAOYSA-N
XLogP-0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxy)ethanesulfonyl chloride?
The IUPAC name of 2-(oxetan-3-yloxy)ethanesulfonyl chloride (CID 102608496) is 2-(oxetan-3-yloxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(oxetan-3-yloxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(oxetan-3-yloxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOC1COC1.
What is the InChIKey of 2-(oxetan-3-yloxy)ethanesulfonyl chloride?
The InChIKey is KNIGUSGQMKQBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO4S/c6-11(7,8)2-1-10-5-3-9-4-5/h5H,1-4H2.
What are the key properties of 2-(oxetan-3-yloxy)ethanesulfonyl chloride?
2-(oxetan-3-yloxy)ethanesulfonyl chloride has a molecular weight of 200.64 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxy)ethanesulfonyl chloride is sourced from PubChem (CID 102608496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).