(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride

C20H24ClNO3S — CID 67787828

IUPAC(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)C1CC2CC[C@@H](O)C1N2Cc1ccccc1
InChIInChI=1S/C20H23NO3S.ClH/c22-18-12-11-16-13-19(25(23,24)17-9-5-2-6-10-17)20(18)21(16)14-15-7-3-1-4-8-15;/h1-10,16,18-20,22H,11-14H2;1H/t16?,18-,19?,20?;/m1./s1
InChIKeyJRJAVVIHRCECDV-BDRAWELBSA-N
MW393.94 g/mol
LogP3.05
Rot. Bonds4

About (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride

(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride (PubChem CID 67787828) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride
PubChem CID67787828
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)C1CC2CC[C@@H](O)C1N2Cc1ccccc1
InChIInChI=1S/C20H23NO3S.ClH/c22-18-12-11-16-13-19(25(23,24)17-9-5-2-6-10-17)20(18)21(16)14-15-7-3-1-4-8-15;/h1-10,16,18-20,22H,11-14H2;1H/t16?,18-,19?,20?;/m1./s1
InChIKeyJRJAVVIHRCECDV-BDRAWELBSA-N
XLogP3.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride with MolForge

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Related Compounds

6-(Benzenesulfonyl)-8-benzyl-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-ol
CID 69685996
(1R*,2R*,5S*,6R*)-8-Benzyl-1-(4-fluorophenyl)-6-phenylsulphonyl-8-azabicyclo[3.2.1]octan-2-ol
CID 69891767
(3R)-1-(benzenesulfonyl)-3-(dibenzylamino)-1-fluoroheptan-2-ol
CID 122585420
1-(Benzenesulfonyl)-3-(dibenzylamino)-1-fluoroheptan-2-ol
CID 175493425
(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 155933092
(+/-)-6-Benzenesulfonyl-8-benzyl-8-aza-bicyclo[3.2.1]octan-2-one ethylene acetal
CID 18461089
(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 57054410
(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 57094920
(1S,2S,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride
CID 67787825
(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride
CID 67788451
(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride
CID 67788453
6-(Benzenesulfonyl)-8-benzyl-1-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 69684805

Frequently Asked Questions

What is the IUPAC name of (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride?
The IUPAC name of (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride (CID 67787828) is (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride.
What is the SMILES notation for (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride?
The canonical SMILES for (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride is Cl.O=S(=O)(c1ccccc1)C1CC2CC[C@@H](O)C1N2Cc1ccccc1.
What is the InChIKey of (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride?
The InChIKey is JRJAVVIHRCECDV-BDRAWELBSA-N. The full InChI is InChI=1S/C20H23NO3S.ClH/c22-18-12-11-16-13-19(25(23,24)17-9-5-2-6-10-17)20(18)21(16)14-15-7-3-1-4-8-15;/h1-10,16,18-20,22H,11-14H2;1H/t16?,18-,19?,20?;/m1./s1.
What are the key properties of (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride?
(2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol;hydrochloride is sourced from PubChem (CID 67787828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).