8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO5S2 — CID 55235090

IUPAC8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S1(=O)CCC(S(=O)(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C11H19NO5S2/c13-10-5-8-1-2-9(6-10)12(8)19(16,17)11-3-4-18(14,15)7-11/h8-11,13H,1-7H2
InChIKeyKWVAZGYQAQADGS-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.51
Rot. Bonds2

About 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55235090) has the molecular formula C11H19NO5S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55235090
Molecular FormulaC11H19NO5S2
Molecular Weight309.41 g/mol
Exact Mass309.07
IUPAC Name8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S1(=O)CCC(S(=O)(=O)N2C3CCC2CC(O)C3)C1
InChIInChI=1S/C11H19NO5S2/c13-10-5-8-1-2-9(6-10)12(8)19(16,17)11-3-4-18(14,15)7-11/h8-11,13H,1-7H2
InChIKeyKWVAZGYQAQADGS-UHFFFAOYSA-N
XLogP-0.51
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 55235090) is 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is O=S1(=O)CCC(S(=O)(=O)N2C3CCC2CC(O)C3)C1.
What is the InChIKey of 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KWVAZGYQAQADGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S2/c13-10-5-8-1-2-9(6-10)12(8)19(16,17)11-3-4-18(14,15)7-11/h8-11,13H,1-7H2.
What are the key properties of 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 309.41 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-dioxothiolan-3-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55235090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).