2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride

C6H9ClO3S — CID 155821305

IUPAC2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1COC2CC1C2
InChIInChI=1S/C6H9ClO3S/c7-11(8,9)6-3-10-5-1-4(6)2-5/h4-6H,1-3H2
InChIKeyMFNUFSGMYGINNT-UHFFFAOYSA-N
MW196.65 g/mol
LogP0.73
Rot. Bonds1

About 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride

2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride (PubChem CID 155821305) has the molecular formula C6H9ClO3S and a molecular weight of 196.65 g/mol. Its IUPAC name is 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride.

Molecular Properties

Compound Name2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride
PubChem CID155821305
Molecular FormulaC6H9ClO3S
Molecular Weight196.65 g/mol
Exact Mass196.00
IUPAC Name2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1COC2CC1C2
InChIInChI=1S/C6H9ClO3S/c7-11(8,9)6-3-10-5-1-4(6)2-5/h4-6H,1-3H2
InChIKeyMFNUFSGMYGINNT-UHFFFAOYSA-N
XLogP0.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.65
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-1-(2-oxabicyclo[3.1.1]heptan-4-ylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 166327172
bicyclo[3.2.1]octane-2-sulfonyl chloride
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(2R,3S)-2-methyloxolane-3-sulfonyl chloride
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bicyclo[3.1.0]hexane-3-sulfonyl chloride
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cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
CID 98092799
(3S,4S)-3-methyloxane-4-sulfonyl chloride
CID 98084898
5-(2-methylpropyl)-2-oxabicyclo[2.2.1]heptane
CID 167404772
3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride
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(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
(1S,2S,3S)-2,3-dihydroxycyclopentane-1-sulfonyl chloride
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cis-methyl (1R,2R)-2-chlorosulfonylcyclobutane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride?
The IUPAC name of 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride (CID 155821305) is 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride.
What is the SMILES notation for 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride?
The canonical SMILES for 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride is O=S(=O)(Cl)C1COC2CC1C2.
What is the InChIKey of 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride?
The InChIKey is MFNUFSGMYGINNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO3S/c7-11(8,9)6-3-10-5-1-4(6)2-5/h4-6H,1-3H2.
What are the key properties of 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride?
2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride has a molecular weight of 196.65 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[3.1.1]heptane-4-sulfonyl chloride is sourced from PubChem (CID 155821305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).