8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane

C13H17FN2O2S — CID 155420287

IUPAC8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1cccc(F)c1)N1CC2CCNCC1C2
InChIInChI=1S/C13H17FN2O2S/c14-11-2-1-3-13(7-11)19(17,18)16-9-10-4-5-15-8-12(16)6-10/h1-3,7,10,12,15H,4-6,8-9H2
InChIKeyPSELHXPRQZOUIY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.20
Rot. Bonds2

About 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane

8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane (PubChem CID 155420287) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane
PubChem CID155420287
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1cccc(F)c1)N1CC2CCNCC1C2
InChIInChI=1S/C13H17FN2O2S/c14-11-2-1-3-13(7-11)19(17,18)16-9-10-4-5-15-8-12(16)6-10/h1-3,7,10,12,15H,4-6,8-9H2
InChIKeyPSELHXPRQZOUIY-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluorophenyl)sulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122273000
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 83290781
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719189
4-ethyl-5-(3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207758
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100722421
5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
CID 24984171
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane?
The IUPAC name of 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane (CID 155420287) is 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane is O=S(=O)(c1cccc(F)c1)N1CC2CCNCC1C2.
What is the InChIKey of 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane?
The InChIKey is PSELHXPRQZOUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-11-2-1-3-13(7-11)19(17,18)16-9-10-4-5-15-8-12(16)6-10/h1-3,7,10,12,15H,4-6,8-9H2.
What are the key properties of 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane?
8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane has a molecular weight of 284.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 155420287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).