(1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

C12H15FN2O3S — CID 98056192

IUPAC(1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESO=S(=O)(c1cccc(F)c1)N1C[C@H]2CNC[C@H](C1)O2
InChIInChI=1S/C12H15FN2O3S/c13-9-2-1-3-12(4-9)19(16,17)15-7-10-5-14-6-11(8-15)18-10/h1-4,10-11,14H,5-8H2/t10-,11-/m1/s1
InChIKeyONAHUNUGIOBANQ-GHMZBOCLSA-N
MW286.33 g/mol
LogP0.19
Rot. Bonds2

About (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

(1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 98056192) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
PubChem CID98056192
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name(1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESO=S(=O)(c1cccc(F)c1)N1C[C@H]2CNC[C@H](C1)O2
InChIInChI=1S/C12H15FN2O3S/c13-9-2-1-3-12(4-9)19(16,17)15-7-10-5-14-6-11(8-15)18-10/h1-4,10-11,14H,5-8H2/t10-,11-/m1/s1
InChIKeyONAHUNUGIOBANQ-GHMZBOCLSA-N
XLogP0.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane 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 (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (CID 98056192) is (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is O=S(=O)(c1cccc(F)c1)N1C[C@H]2CNC[C@H](C1)O2.
What is the InChIKey of (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is ONAHUNUGIOBANQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-9-2-1-3-12(4-9)19(16,17)15-7-10-5-14-6-11(8-15)18-10/h1-4,10-11,14H,5-8H2/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
(1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 286.33 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 98056192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).