8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride

C6H10ClNO3S — CID 66392863

IUPAC8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC2CCC(C1)O2
InChIInChI=1S/C6H10ClNO3S/c7-12(9,10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2
InChIKeyNEWODARBPUBMBR-UHFFFAOYSA-N
MW211.67 g/mol
LogP0.33
Rot. Bonds1

About 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride

8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride (PubChem CID 66392863) has the molecular formula C6H10ClNO3S and a molecular weight of 211.67 g/mol. Its IUPAC name is 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride.

Molecular Properties

Compound Name8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride
PubChem CID66392863
Molecular FormulaC6H10ClNO3S
Molecular Weight211.67 g/mol
Exact Mass211.01
IUPAC Name8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC2CCC(C1)O2
InChIInChI=1S/C6H10ClNO3S/c7-12(9,10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2
InChIKeyNEWODARBPUBMBR-UHFFFAOYSA-N
XLogP0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride?
The IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride (CID 66392863) is 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride.
What is the SMILES notation for 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride?
The canonical SMILES for 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride is O=S(=O)(Cl)N1CC2CCC(C1)O2.
What is the InChIKey of 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride?
The InChIKey is NEWODARBPUBMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3S/c7-12(9,10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2.
What are the key properties of 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride?
8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride has a molecular weight of 211.67 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-3-azabicyclo[3.2.1]octane-3-sulfonyl chloride is sourced from PubChem (CID 66392863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).