8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one

C13H13F3N2O4S — CID 166288755

IUPAC8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2CCC1N2S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c14-13(15,16)22-10-3-1-2-4-11(10)23(20,21)18-8-5-6-9(18)12(19)17-7-8/h1-4,8-9H,5-7H2,(H,17,19)
InChIKeyOSVJTIWAVNSEQH-UHFFFAOYSA-N
MW350.32 g/mol
LogP1.24
Rot. Bonds3

About 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one

8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one (PubChem CID 166288755) has the molecular formula C13H13F3N2O4S and a molecular weight of 350.32 g/mol. Its IUPAC name is 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one
PubChem CID166288755
Molecular FormulaC13H13F3N2O4S
Molecular Weight350.32 g/mol
Exact Mass350.05
IUPAC Name8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2CCC1N2S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c14-13(15,16)22-10-3-1-2-4-11(10)23(20,21)18-8-5-6-9(18)12(19)17-7-8/h1-4,8-9H,5-7H2,(H,17,19)
InChIKeyOSVJTIWAVNSEQH-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962804
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
3-(4-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]sulfonylazepane
CID 121146381
(1R,4S)-5-[2-(trifluoromethoxy)phenyl]sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129353252
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole
CID 154581801
2-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120584128
7-phenyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-thiazepane
CID 73169058
(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51936673
N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 129333818

Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one?
The IUPAC name of 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one (CID 166288755) is 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one is O=C1NCC2CCC1N2S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one?
The InChIKey is OSVJTIWAVNSEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4S/c14-13(15,16)22-10-3-1-2-4-11(10)23(20,21)18-8-5-6-9(18)12(19)17-7-8/h1-4,8-9H,5-7H2,(H,17,19).
What are the key properties of 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one?
8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one has a molecular weight of 350.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethoxy)phenyl]sulfonyl-3,8-diazabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 166288755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).