1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

C21H20N2O2S — CID 129356016

IUPAC1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1cc2ccccc2s1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2
InChIInChI=1S/C21H20N2O2S/c24-21(19-11-14-5-1-2-6-18(14)26-19)23-15-8-9-16(23)13-17(12-15)25-20-7-3-4-10-22-20/h1-7,10-11,15-17H,8-9,12-13H2/t15-,16-/m0/s1
InChIKeyBNBVVUBHRUDOFZ-HOTGVXAUSA-N
MW364.47 g/mol
LogP4.51
Rot. Bonds3

About 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 129356016) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID129356016
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1cc2ccccc2s1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2
InChIInChI=1S/C21H20N2O2S/c24-21(19-11-14-5-1-2-6-18(14)26-19)23-15-8-9-16(23)13-17(12-15)25-20-7-3-4-10-22-20/h1-7,10-11,15-17H,8-9,12-13H2/t15-,16-/m0/s1
InChIKeyBNBVVUBHRUDOFZ-HOTGVXAUSA-N
XLogP4.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-bromothiophen-2-yl)-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357904
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195411
1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195310
(1S,5S)-N-(5-methyl-1,3-thiazol-2-yl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129357126
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 129356016) is 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1cc2ccccc2s1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2.
What is the InChIKey of 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is BNBVVUBHRUDOFZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(19-11-14-5-1-2-6-18(14)26-19)23-15-8-9-16(23)13-17(12-15)25-20-7-3-4-10-22-20/h1-7,10-11,15-17H,8-9,12-13H2/t15-,16-/m0/s1.
What are the key properties of 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 364.47 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 129356016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).