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

C16H30N2OS2 — CID 58416283

IUPAC5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)NCCCN1CCCCC1
InChIInChI=1S/C16H30N2OS2/c19-16(8-3-2-7-15-9-14-20-21-15)17-10-6-13-18-11-4-1-5-12-18/h15H,1-14H2,(H,17,19)/t15-/m1/s1
InChIKeyVZFLKFVMRVGOQJ-OAHLLOKOSA-N
MW330.56 g/mol
LogP3.69
Rot. Bonds9

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

5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide (PubChem CID 58416283) has the molecular formula C16H30N2OS2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide
PubChem CID58416283
Molecular FormulaC16H30N2OS2
Molecular Weight330.56 g/mol
Exact Mass330.18
IUPAC Name5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide
SMILESO=C(CCCC[C@@H]1CCSS1)NCCCN1CCCCC1
InChIInChI=1S/C16H30N2OS2/c19-16(8-3-2-7-15-9-14-20-21-15)17-10-6-13-18-11-4-1-5-12-18/h15H,1-14H2,(H,17,19)/t15-/m1/s1
InChIKeyVZFLKFVMRVGOQJ-OAHLLOKOSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 53.69
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-(3-piperidin-1-ylpropyl)pentanamide?
The IUPAC name of 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide (CID 58416283) is 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide?
The canonical SMILES for 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide is O=C(CCCC[C@@H]1CCSS1)NCCCN1CCCCC1.
What is the InChIKey of 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide?
The InChIKey is VZFLKFVMRVGOQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30N2OS2/c19-16(8-3-2-7-15-9-14-20-21-15)17-10-6-13-18-11-4-1-5-12-18/h15H,1-14H2,(H,17,19)/t15-/m1/s1.
What are the key properties of 5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide?
5-[(3R)-dithiolan-3-yl]-N-(3-piperidin-1-ylpropyl)pentanamide has a molecular weight of 330.56 g/mol, XLogP of 3.69, 9 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-(3-piperidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 58416283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).