(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol

C20H23NO3S — CID 57054410

IUPAC(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESO=S(=O)(c1ccccc1)C1CC2CC[C@H](O)C1N2Cc1ccccc1
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?/m0/s1
InChIKeyFOEYWEUGNQJTKQ-MHINKWEDSA-N
MW357.47 g/mol
LogP2.63
Rot. Bonds4

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

(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol (PubChem CID 57054410) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
PubChem CID57054410
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name(2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESO=S(=O)(c1ccccc1)C1CC2CC[C@H](O)C1N2Cc1ccccc1
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?/m0/s1
InChIKeyFOEYWEUGNQJTKQ-MHINKWEDSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol (CID 57054410) is (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol is O=S(=O)(c1ccccc1)C1CC2CC[C@H](O)C1N2Cc1ccccc1.
What is the InChIKey of (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is FOEYWEUGNQJTKQ-MHINKWEDSA-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?/m0/s1.
What are the key properties of (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol?
(2S)-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 (2S)-7-(benzenesulfonyl)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 57054410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).