5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one

C13H23NOS2 — CID 18357994

IUPAC5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCC1CCSS1)N1CCCCC1
InChIInChI=1S/C13H23NOS2/c15-13(14-9-4-1-5-10-14)7-3-2-6-12-8-11-16-17-12/h12H,1-11H2
InChIKeyRTHJNFNEDAZBQA-UHFFFAOYSA-N
MW273.47 g/mol
LogP3.71
Rot. Bonds5

About 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one

5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one (PubChem CID 18357994) has the molecular formula C13H23NOS2 and a molecular weight of 273.47 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one
PubChem CID18357994
Molecular FormulaC13H23NOS2
Molecular Weight273.47 g/mol
Exact Mass273.12
IUPAC Name5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one
SMILESO=C(CCCCC1CCSS1)N1CCCCC1
InChIInChI=1S/C13H23NOS2/c15-13(14-9-4-1-5-10-14)7-3-2-6-12-8-11-16-17-12/h12H,1-11H2
InChIKeyRTHJNFNEDAZBQA-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Cyclohexylpiperazin-1-yl)-5-(dithiolan-3-yl)pentan-1-one
CID 71601214
5-(1,2-Dithiolan-3-yl)-1-thiomorpholinopentan-1-one
CID 18357982
5-(Dithiolan-3-yl)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 20701506
Diethyllipoamide
CID 168401
N-(1-oxododecyl)thiomorpholine
CID 11778705
5-(1,2-Dithiolan-3-yl)-1-(4-(2-fluoroethyl)piperazin-1-yl)pentan-1-one
CID 119104741
5-[(3R)-dithiolan-3-yl]-1-[4-(2-fluoroethyl)piperazin-1-yl]pentan-1-one
CID 129357376
5-[(3S)-dithiolan-3-yl]-1-[4-(2-fluoroethyl)piperazin-1-yl]pentan-1-one
CID 129357377
5-(dithiolan-3-yl)-N,N-dimethylpentanamide
CID 16061719
5-(Dithiolan-3-yl)-1-piperazin-1-ylpentan-1-one
CID 16061721
5-(1,2-Dithiolan-3-yl)-1-(morpholin-4-yl)pentan-1-one
CID 16061826
5-(Dithiolan-3-yl)-1-pyrrolidin-1-ylpentan-1-one
CID 18358037

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one (CID 18357994) is 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one is O=C(CCCCC1CCSS1)N1CCCCC1.
What is the InChIKey of 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one?
The InChIKey is RTHJNFNEDAZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS2/c15-13(14-9-4-1-5-10-14)7-3-2-6-12-8-11-16-17-12/h12H,1-11H2.
What are the key properties of 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one?
5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one has a molecular weight of 273.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 18357994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).