5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide

C24H33N3OS2 — CID 11316712

IUPAC5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide
SMILESO=C(CCCCC1CCSS1)NCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C24H33N3OS2/c28-23(13-6-1-8-18-14-17-29-30-18)25-15-7-16-26-24-19-9-2-4-11-21(19)27-22-12-5-3-10-20(22)24/h2,4,9,11,18H,1,3,5-8,10,12-17H2,(H,25,28)(H,26,27)
InChIKeyFUZSKXNTSYMEMF-UHFFFAOYSA-N
MW443.68 g/mol
LogP5.75
Rot. Bonds10

About 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide

5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide (PubChem CID 11316712) has the molecular formula C24H33N3OS2 and a molecular weight of 443.68 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide
PubChem CID11316712
Molecular FormulaC24H33N3OS2
Molecular Weight443.68 g/mol
Exact Mass443.21
IUPAC Name5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide
SMILESO=C(CCCCC1CCSS1)NCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C24H33N3OS2/c28-23(13-6-1-8-18-14-17-29-30-18)25-15-7-16-26-24-19-9-2-4-11-21(19)27-22-12-5-3-10-20(22)24/h2,4,9,11,18H,1,3,5-8,10,12-17H2,(H,25,28)(H,26,27)
InChIKeyFUZSKXNTSYMEMF-UHFFFAOYSA-N
XLogP5.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide (CID 11316712) is 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide is O=C(CCCCC1CCSS1)NCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide?
The InChIKey is FUZSKXNTSYMEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS2/c28-23(13-6-1-8-18-14-17-29-30-18)25-15-7-16-26-24-19-9-2-4-11-21(19)27-22-12-5-3-10-20(22)24/h2,4,9,11,18H,1,3,5-8,10,12-17H2,(H,25,28)(H,26,27).
What are the key properties of 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide?
5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide has a molecular weight of 443.68 g/mol, XLogP of 5.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]pentanamide is sourced from PubChem (CID 11316712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).