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

C11H17NO3S — CID 62739939

IUPAC8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO3S/c13-11-5-8-1-2-9(6-11)12(8)10-3-4-16(14,15)7-10/h8-10H,1-7H2
InChIKeyHYELCZBZERFLOM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.37
Rot. Bonds1

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

8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62739939) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62739939
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17NO3S/c13-11-5-8-1-2-9(6-11)12(8)10-3-4-16(14,15)7-10/h8-10H,1-7H2
InChIKeyHYELCZBZERFLOM-UHFFFAOYSA-N
XLogP0.37
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 62713753
(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
CID 144657404
8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740847
8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739795
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
8-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738914
8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740867
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
1-(1,1-dioxothiolan-3-yl)-4-hydroxypiperidin-2-one
CID 117013989
(1R,2R,6S,7R)-4-[(3R)-1,1-dioxothiolan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98104696
1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione
CID 43131900
9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64743890

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 62739939) is 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2C1CCS(=O)(=O)C1.
What is the InChIKey of 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is HYELCZBZERFLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-11-5-8-1-2-9(6-11)12(8)10-3-4-16(14,15)7-10/h8-10H,1-7H2.
What are the key properties of 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 243.33 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62739939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).