5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide

C17H32N2OS2 — CID 95908672

IUPAC5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
SMILESCC1(C)CC(NC(=O)CCCC[C@H]2CCSS2)CC(C)(C)N1
InChIInChI=1S/C17H32N2OS2/c1-16(2)11-13(12-17(3,4)19-16)18-15(20)8-6-5-7-14-9-10-21-22-14/h13-14,19H,5-12H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyIBMXIZJZHGEOEH-AWEZNQCLSA-N
MW344.59 g/mol
LogP4.13
Rot. Bonds6

About 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide

5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide (PubChem CID 95908672) has the molecular formula C17H32N2OS2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
PubChem CID95908672
Molecular FormulaC17H32N2OS2
Molecular Weight344.59 g/mol
Exact Mass344.20
IUPAC Name5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
SMILESCC1(C)CC(NC(=O)CCCC[C@H]2CCSS2)CC(C)(C)N1
InChIInChI=1S/C17H32N2OS2/c1-16(2)11-13(12-17(3,4)19-16)18-15(20)8-6-5-7-14-9-10-21-22-14/h13-14,19H,5-12H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyIBMXIZJZHGEOEH-AWEZNQCLSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide (CID 95908672) is 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide is CC1(C)CC(NC(=O)CCCC[C@H]2CCSS2)CC(C)(C)N1.
What is the InChIKey of 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
The InChIKey is IBMXIZJZHGEOEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N2OS2/c1-16(2)11-13(12-17(3,4)19-16)18-15(20)8-6-5-7-14-9-10-21-22-14/h13-14,19H,5-12H2,1-4H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide?
5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide has a molecular weight of 344.59 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-dithiolan-3-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 95908672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).