5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide

C17H32N2O2S2 — CID 59780344

IUPAC5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
SMILESCC1(C)CC(NC(=O)CCCCC2CCSS2)CC(C)(C)N1O
InChIInChI=1S/C17H32N2O2S2/c1-16(2)11-13(12-17(3,4)19(16)21)18-15(20)8-6-5-7-14-9-10-22-23-14/h13-14,21H,5-12H2,1-4H3,(H,18,20)
InChIKeyJOAVCFAZFTYMRP-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.23
Rot. Bonds6

About 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide

5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide (PubChem CID 59780344) has the molecular formula C17H32N2O2S2 and a molecular weight of 360.59 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
PubChem CID59780344
Molecular FormulaC17H32N2O2S2
Molecular Weight360.59 g/mol
Exact Mass360.19
IUPAC Name5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
SMILESCC1(C)CC(NC(=O)CCCCC2CCSS2)CC(C)(C)N1O
InChIInChI=1S/C17H32N2O2S2/c1-16(2)11-13(12-17(3,4)19(16)21)18-15(20)8-6-5-7-14-9-10-22-23-14/h13-14,21H,5-12H2,1-4H3,(H,18,20)
InChIKeyJOAVCFAZFTYMRP-UHFFFAOYSA-N
XLogP4.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.23
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-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide (CID 59780344) is 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide is CC1(C)CC(NC(=O)CCCCC2CCSS2)CC(C)(C)N1O.
What is the InChIKey of 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The InChIKey is JOAVCFAZFTYMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2S2/c1-16(2)11-13(12-17(3,4)19(16)21)18-15(20)8-6-5-7-14-9-10-22-23-14/h13-14,21H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
5-(dithiolan-3-yl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide has a molecular weight of 360.59 g/mol, XLogP of 4.23, 6 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-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 59780344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).