9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine

C23H26N2S — CID 90654884

IUPAC9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine
SMILESc1ccc(CCCCCSc2c3c(nc4ccccc24)CCCC3)nc1
InChIInChI=1S/C23H26N2S/c1(2-10-18-11-7-8-16-24-18)9-17-26-23-19-12-3-5-14-21(19)25-22-15-6-4-13-20(22)23/h3,5,7-8,11-12,14,16H,1-2,4,6,9-10,13,15,17H2
InChIKeyKVYPRJGZOVVSOG-UHFFFAOYSA-N
MW362.54 g/mol
LogP6.01
Rot. Bonds7

About 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine

9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine (PubChem CID 90654884) has the molecular formula C23H26N2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine
PubChem CID90654884
Molecular FormulaC23H26N2S
Molecular Weight362.54 g/mol
Exact Mass362.18
IUPAC Name9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine
SMILESc1ccc(CCCCCSc2c3c(nc4ccccc24)CCCC3)nc1
InChIInChI=1S/C23H26N2S/c1(2-10-18-11-7-8-16-24-18)9-17-26-23-19-12-3-5-14-21(19)25-22-15-6-4-13-20(22)23/h3,5,7-8,11-12,14,16H,1-2,4,6,9-10,13,15,17H2
InChIKeyKVYPRJGZOVVSOG-UHFFFAOYSA-N
XLogP6.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine (CID 90654884) is 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine is c1ccc(CCCCCSc2c3c(nc4ccccc24)CCCC3)nc1.
What is the InChIKey of 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine?
The InChIKey is KVYPRJGZOVVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2S/c1(2-10-18-11-7-8-16-24-18)9-17-26-23-19-12-3-5-14-21(19)25-22-15-6-4-13-20(22)23/h3,5,7-8,11-12,14,16H,1-2,4,6,9-10,13,15,17H2.
What are the key properties of 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine?
9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine has a molecular weight of 362.54 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-pyridin-2-ylpentylsulfanyl)-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 90654884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).