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

C13H17BrN2O2S — CID 61235921

IUPAC8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2S/c14-9-1-5-13(6-2-9)19(17,18)16-11-3-4-12(16)8-10(15)7-11/h1-2,5-6,10-12H,3-4,7-8,15H2
InChIKeyORNFNRCVKHLHBG-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.09
Rot. Bonds2

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

8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61235921) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61235921
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2S/c14-9-1-5-13(6-2-9)19(17,18)16-11-3-4-12(16)8-10(15)7-11/h1-2,5-6,10-12H,3-4,7-8,15H2
InChIKeyORNFNRCVKHLHBG-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61235921) is 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ORNFNRCVKHLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c14-9-1-5-13(6-2-9)19(17,18)16-11-3-4-12(16)8-10(15)7-11/h1-2,5-6,10-12H,3-4,7-8,15H2.
What are the key properties of 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 345.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61235921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).