oxan-3-ylmethanesulfonyl chloride

C6H11ClO3S — CID 54595496

IUPACoxan-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCOC1
InChIInChI=1S/C6H11ClO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2
InChIKeyYTHRZAPEMAIYIV-UHFFFAOYSA-N
MW198.67 g/mol
LogP0.98
Rot. Bonds2

About oxan-3-ylmethanesulfonyl chloride

oxan-3-ylmethanesulfonyl chloride (PubChem CID 54595496) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is oxan-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameoxan-3-ylmethanesulfonyl chloride
PubChem CID54595496
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Nameoxan-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCOC1
InChIInChI=1S/C6H11ClO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2
InChIKeyYTHRZAPEMAIYIV-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-3-ylmethanesulfonyl chloride?
The IUPAC name of oxan-3-ylmethanesulfonyl chloride (CID 54595496) is oxan-3-ylmethanesulfonyl chloride.
What is the SMILES notation for oxan-3-ylmethanesulfonyl chloride?
The canonical SMILES for oxan-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CCCOC1.
What is the InChIKey of oxan-3-ylmethanesulfonyl chloride?
The InChIKey is YTHRZAPEMAIYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2.
What are the key properties of oxan-3-ylmethanesulfonyl chloride?
oxan-3-ylmethanesulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 54595496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).