4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol

C10H17NO4S — CID 66371342

IUPAC4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CC3CCC(C2)O3)C1
InChIInChI=1S/C10H17NO4S/c12-10-6-16(13,14)5-9(10)11-3-7-1-2-8(4-11)15-7/h7-10,12H,1-6H2
InChIKeyZKGHVBKWYHINHB-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.99
Rot. Bonds1

About 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol

4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol (PubChem CID 66371342) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
PubChem CID66371342
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(N2CC3CCC(C2)O3)C1
InChIInChI=1S/C10H17NO4S/c12-10-6-16(13,14)5-9(10)11-3-7-1-2-8(4-11)15-7/h7-10,12H,1-6H2
InChIKeyZKGHVBKWYHINHB-UHFFFAOYSA-N
XLogP-0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol (CID 66371342) is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(N2CC3CCC(C2)O3)C1.
What is the InChIKey of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is ZKGHVBKWYHINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10-6-16(13,14)5-9(10)11-3-7-1-2-8(4-11)15-7/h7-10,12H,1-6H2.
What are the key properties of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol?
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 247.32 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 66371342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).