5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide

C17H32N2OS2 — CID 58416279

IUPAC5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)NCCCCN1CCCCC1
InChIInChI=1S/C17H32N2OS2/c20-17(9-3-2-8-16-10-15-21-22-16)18-11-4-7-14-19-12-5-1-6-13-19/h16H,1-15H2,(H,18,20)/t16-/m1/s1
InChIKeyQJAHZAJPSBOULR-MRXNPFEDSA-N
MW344.59 g/mol
LogP4.08
Rot. Bonds10

About 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide

5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide (PubChem CID 58416279) has the molecular formula C17H32N2OS2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide.

Molecular Properties

Compound Name5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide
PubChem CID58416279
Molecular FormulaC17H32N2OS2
Molecular Weight344.59 g/mol
Exact Mass344.20
IUPAC Name5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)NCCCCN1CCCCC1
InChIInChI=1S/C17H32N2OS2/c20-17(9-3-2-8-16-10-15-21-22-16)18-11-4-7-14-19-12-5-1-6-13-19/h16H,1-15H2,(H,18,20)/t16-/m1/s1
InChIKeyQJAHZAJPSBOULR-MRXNPFEDSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide?
The IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide (CID 58416279) is 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide.
What is the SMILES notation for 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide?
The canonical SMILES for 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide is O=C(CCCC[C@@H]1CCSS1)NCCCCN1CCCCC1.
What is the InChIKey of 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide?
The InChIKey is QJAHZAJPSBOULR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H32N2OS2/c20-17(9-3-2-8-16-10-15-21-22-16)18-11-4-7-14-19-12-5-1-6-13-19/h16H,1-15H2,(H,18,20)/t16-/m1/s1.
What are the key properties of 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide?
5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide has a molecular weight of 344.59 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-dithiolan-3-yl]-N-(4-piperidin-1-ylbutyl)pentanamide is sourced from PubChem (CID 58416279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).