1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione

C18H33NO2S — CID 21260128

IUPAC1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione
SMILESCCCCCCCC(CC)SCCCN1C(=O)CCCC1=O
InChIInChI=1S/C18H33NO2S/c1-3-5-6-7-8-11-16(4-2)22-15-10-14-19-17(20)12-9-13-18(19)21/h16H,3-15H2,1-2H3
InChIKeyNACXKBQEMOVMOG-UHFFFAOYSA-N
MW327.53 g/mol
LogP4.79
Rot. Bonds12

About 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione

1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione (PubChem CID 21260128) has the molecular formula C18H33NO2S and a molecular weight of 327.53 g/mol. Its IUPAC name is 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione
PubChem CID21260128
Molecular FormulaC18H33NO2S
Molecular Weight327.53 g/mol
Exact Mass327.22
IUPAC Name1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione
SMILESCCCCCCCC(CC)SCCCN1C(=O)CCCC1=O
InChIInChI=1S/C18H33NO2S/c1-3-5-6-7-8-11-16(4-2)22-15-10-14-19-17(20)12-9-13-18(19)21/h16H,3-15H2,1-2H3
InChIKeyNACXKBQEMOVMOG-UHFFFAOYSA-N
XLogP4.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione 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 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione (CID 21260128) is 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione is CCCCCCCC(CC)SCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione?
The InChIKey is NACXKBQEMOVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2S/c1-3-5-6-7-8-11-16(4-2)22-15-10-14-19-17(20)12-9-13-18(19)21/h16H,3-15H2,1-2H3.
What are the key properties of 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione?
1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione has a molecular weight of 327.53 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-decan-3-ylsulfanylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 21260128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).