oxetan-3-ylmethanesulfonyl chloride

C4H7ClO3S — CID 90355747

IUPACoxetan-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1COC1
InChIInChI=1S/C4H7ClO3S/c5-9(6,7)3-4-1-8-2-4/h4H,1-3H2
InChIKeyYKOWCKUSQRRSSZ-UHFFFAOYSA-N
MW170.62 g/mol
LogP0.20
Rot. Bonds2

About oxetan-3-ylmethanesulfonyl chloride

oxetan-3-ylmethanesulfonyl chloride (PubChem CID 90355747) has the molecular formula C4H7ClO3S and a molecular weight of 170.62 g/mol. Its IUPAC name is oxetan-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameoxetan-3-ylmethanesulfonyl chloride
PubChem CID90355747
Molecular FormulaC4H7ClO3S
Molecular Weight170.62 g/mol
Exact Mass169.98
IUPAC Nameoxetan-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1COC1
InChIInChI=1S/C4H7ClO3S/c5-9(6,7)3-4-1-8-2-4/h4H,1-3H2
InChIKeyYKOWCKUSQRRSSZ-UHFFFAOYSA-N
XLogP0.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-ylmethanesulfonyl chloride?
The IUPAC name of oxetan-3-ylmethanesulfonyl chloride (CID 90355747) is oxetan-3-ylmethanesulfonyl chloride.
What is the SMILES notation for oxetan-3-ylmethanesulfonyl chloride?
The canonical SMILES for oxetan-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1COC1.
What is the InChIKey of oxetan-3-ylmethanesulfonyl chloride?
The InChIKey is YKOWCKUSQRRSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO3S/c5-9(6,7)3-4-1-8-2-4/h4H,1-3H2.
What are the key properties of oxetan-3-ylmethanesulfonyl chloride?
oxetan-3-ylmethanesulfonyl chloride has a molecular weight of 170.62 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 90355747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).