(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol

C20H23NO3S — CID 67788452

IUPAC(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESO=S(=O)(c1ccccc1)C1C[C@H]2CC[C@@H](O)[C@@H]1N2Cc1ccccc1
InChIInChI=1S/C20H23NO3S/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/t16-,18-,19?,20+/m1/s1
InChIKeyFOEYWEUGNQJTKQ-AQZKVIQRSA-N
MW357.47 g/mol
LogP2.63
Rot. Bonds4

About (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol

(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol (PubChem CID 67788452) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
PubChem CID67788452
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESO=S(=O)(c1ccccc1)C1C[C@H]2CC[C@@H](O)[C@@H]1N2Cc1ccccc1
InChIInChI=1S/C20H23NO3S/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/t16-,18-,19?,20+/m1/s1
InChIKeyFOEYWEUGNQJTKQ-AQZKVIQRSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol with MolForge

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Related Compounds

[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1R,3S,5S)-8-benzyl-3-fluoro-8-azabicyclo[3.2.1]octan-2-ol
CID 178126007
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
2-(8-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl)acetic acid
CID 83489066
(1R,2R,3R)-2-amino-3-(benzenesulfonyl)cyclopentan-1-ol
CID 10911682
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol (CID 67788452) is (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol is O=S(=O)(c1ccccc1)C1C[C@H]2CC[C@@H](O)[C@@H]1N2Cc1ccccc1.
What is the InChIKey of (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is FOEYWEUGNQJTKQ-AQZKVIQRSA-N. The full InChI is InChI=1S/C20H23NO3S/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/t16-,18-,19?,20+/m1/s1.
What are the key properties of (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
(1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 357.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 67788452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).