8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

C13H16Br2N2O2S — CID 61233880

IUPAC8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O2S/c14-8-1-4-13(12(15)5-8)20(18,19)17-10-2-3-11(17)7-9(16)6-10/h1,4-5,9-11H,2-3,6-7,16H2
InChIKeyAWFXOYFDLIVYCX-UHFFFAOYSA-N
MW424.16 g/mol
LogP2.85
Rot. Bonds2

About 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233880) has the molecular formula C13H16Br2N2O2S and a molecular weight of 424.16 g/mol. Its IUPAC name is 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233880
Molecular FormulaC13H16Br2N2O2S
Molecular Weight424.16 g/mol
Exact Mass421.93
IUPAC Name8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O2S/c14-8-1-4-13(12(15)5-8)20(18,19)17-10-2-3-11(17)7-9(16)6-10/h1,4-5,9-11H,2-3,6-7,16H2
InChIKeyAWFXOYFDLIVYCX-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235921
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
[1-(2,4-dibromophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971871
8-(5-bromothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61234061
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
8-(2-bromo-4,6-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235732
4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one
CID 64695379
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
CID 63605466
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61233880) is 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AWFXOYFDLIVYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2S/c14-8-1-4-13(12(15)5-8)20(18,19)17-10-2-3-11(17)7-9(16)6-10/h1,4-5,9-11H,2-3,6-7,16H2.
What are the key properties of 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 424.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).