10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine

C24H23N3S — CID 11703717

IUPAC10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine
SMILESc1cncc(-c2ccc3c(c2)Sc2ccccc2N3C2CC3CCC(C2)N3)c1
InChIInChI=1S/C24H23N3S/c1-2-6-23-21(5-1)27(20-13-18-8-9-19(14-20)26-18)22-10-7-16(12-24(22)28-23)17-4-3-11-25-15-17/h1-7,10-12,15,18-20,26H,8-9,13-14H2
InChIKeyOWACVAYLWFWVGJ-UHFFFAOYSA-N
MW385.54 g/mol
LogP5.63
Rot. Bonds2

About 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine

10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine (PubChem CID 11703717) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine.

Molecular Properties

Compound Name10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine
PubChem CID11703717
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC Name10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine
SMILESc1cncc(-c2ccc3c(c2)Sc2ccccc2N3C2CC3CCC(C2)N3)c1
InChIInChI=1S/C24H23N3S/c1-2-6-23-21(5-1)27(20-13-18-8-9-19(14-20)26-18)22-10-7-16(12-24(22)28-23)17-4-3-11-25-15-17/h1-7,10-12,15,18-20,26H,8-9,13-14H2
InChIKeyOWACVAYLWFWVGJ-UHFFFAOYSA-N
XLogP5.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine?
The IUPAC name of 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine (CID 11703717) is 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine.
What is the SMILES notation for 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine?
The canonical SMILES for 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine is c1cncc(-c2ccc3c(c2)Sc2ccccc2N3C2CC3CCC(C2)N3)c1.
What is the InChIKey of 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine?
The InChIKey is OWACVAYLWFWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3S/c1-2-6-23-21(5-1)27(20-13-18-8-9-19(14-20)26-18)22-10-7-16(12-24(22)28-23)17-4-3-11-25-15-17/h1-7,10-12,15,18-20,26H,8-9,13-14H2.
What are the key properties of 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine?
10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine has a molecular weight of 385.54 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-azabicyclo[3.2.1]octan-3-yl)-3-pyridin-3-ylphenothiazine is sourced from PubChem (CID 11703717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).