7-oxaspiro[3.5]nonane-2-sulfonyl chloride

C8H13ClO3S — CID 146049590

IUPAC7-oxaspiro[3.5]nonane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2(CCOCC2)C1
InChIInChI=1S/C8H13ClO3S/c9-13(10,11)7-5-8(6-7)1-3-12-4-2-8/h7H,1-6H2
InChIKeyBOAOXOSWKKXCGF-UHFFFAOYSA-N
MW224.71 g/mol
LogP1.51
Rot. Bonds1

About 7-oxaspiro[3.5]nonane-2-sulfonyl chloride

7-oxaspiro[3.5]nonane-2-sulfonyl chloride (PubChem CID 146049590) has the molecular formula C8H13ClO3S and a molecular weight of 224.71 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonane-2-sulfonyl chloride.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonane-2-sulfonyl chloride
PubChem CID146049590
Molecular FormulaC8H13ClO3S
Molecular Weight224.71 g/mol
Exact Mass224.03
IUPAC Name7-oxaspiro[3.5]nonane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2(CCOCC2)C1
InChIInChI=1S/C8H13ClO3S/c9-13(10,11)7-5-8(6-7)1-3-12-4-2-8/h7H,1-6H2
InChIKeyBOAOXOSWKKXCGF-UHFFFAOYSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[3.5]nonane-2-sulfonyl chloride?
The IUPAC name of 7-oxaspiro[3.5]nonane-2-sulfonyl chloride (CID 146049590) is 7-oxaspiro[3.5]nonane-2-sulfonyl chloride.
What is the SMILES notation for 7-oxaspiro[3.5]nonane-2-sulfonyl chloride?
The canonical SMILES for 7-oxaspiro[3.5]nonane-2-sulfonyl chloride is O=S(=O)(Cl)C1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxaspiro[3.5]nonane-2-sulfonyl chloride?
The InChIKey is BOAOXOSWKKXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO3S/c9-13(10,11)7-5-8(6-7)1-3-12-4-2-8/h7H,1-6H2.
What are the key properties of 7-oxaspiro[3.5]nonane-2-sulfonyl chloride?
7-oxaspiro[3.5]nonane-2-sulfonyl chloride has a molecular weight of 224.71 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[3.5]nonane-2-sulfonyl chloride is sourced from PubChem (CID 146049590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).