8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

C14H19FN2O2S — CID 61236109

IUPAC8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(N)C3)cc1F
InChIInChI=1S/C14H19FN2O2S/c1-9-2-5-13(8-14(9)15)20(18,19)17-11-3-4-12(17)7-10(16)6-11/h2,5,8,10-12H,3-4,6-7,16H2,1H3
InChIKeyMYFUZWGSAYRFNE-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.78
Rot. Bonds2

About 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61236109) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61236109
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(N)C3)cc1F
InChIInChI=1S/C14H19FN2O2S/c1-9-2-5-13(8-14(9)15)20(18,19)17-11-3-4-12(17)7-10(16)6-11/h2,5,8,10-12H,3-4,6-7,16H2,1H3
InChIKeyMYFUZWGSAYRFNE-UHFFFAOYSA-N
XLogP1.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235169
8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235921
5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 171148687
8-(3-nitrophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235725
8-(4-fluoro-3-methylphenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
CID 121178380
1-(3-fluoro-4-methylphenyl)sulfonyl-4-(oxan-4-yl)piperazine
CID 126792044
5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 171148663
9-(3-fluoro-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713246
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
(2S,4S)-1-(3-fluoro-4-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712338
1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
CID 39622444
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61236109) is 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(S(=O)(=O)N2C3CCC2CC(N)C3)cc1F.
What is the InChIKey of 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MYFUZWGSAYRFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-9-2-5-13(8-14(9)15)20(18,19)17-11-3-4-12(17)7-10(16)6-11/h2,5,8,10-12H,3-4,6-7,16H2,1H3.
What are the key properties of 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 298.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61236109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).