1-(3-nonylsulfanylpropyl)piperidin-2-one

C17H33NOS — CID 14128038

IUPAC1-(3-nonylsulfanylpropyl)piperidin-2-one
SMILESCCCCCCCCCSCCCN1CCCCC1=O
InChIInChI=1S/C17H33NOS/c1-2-3-4-5-6-7-10-15-20-16-11-14-18-13-9-8-12-17(18)19/h2-16H2,1H3
InChIKeyAAUFMNAGQGNCOP-UHFFFAOYSA-N
MW299.52 g/mol
LogP4.87
Rot. Bonds12

About 1-(3-nonylsulfanylpropyl)piperidin-2-one

1-(3-nonylsulfanylpropyl)piperidin-2-one (PubChem CID 14128038) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is 1-(3-nonylsulfanylpropyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-nonylsulfanylpropyl)piperidin-2-one
PubChem CID14128038
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name1-(3-nonylsulfanylpropyl)piperidin-2-one
SMILESCCCCCCCCCSCCCN1CCCCC1=O
InChIInChI=1S/C17H33NOS/c1-2-3-4-5-6-7-10-15-20-16-11-14-18-13-9-8-12-17(18)19/h2-16H2,1H3
InChIKeyAAUFMNAGQGNCOP-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-nonylsulfanylpropyl)piperidin-2-one?
The IUPAC name of 1-(3-nonylsulfanylpropyl)piperidin-2-one (CID 14128038) is 1-(3-nonylsulfanylpropyl)piperidin-2-one.
What is the SMILES notation for 1-(3-nonylsulfanylpropyl)piperidin-2-one?
The canonical SMILES for 1-(3-nonylsulfanylpropyl)piperidin-2-one is CCCCCCCCCSCCCN1CCCCC1=O.
What is the InChIKey of 1-(3-nonylsulfanylpropyl)piperidin-2-one?
The InChIKey is AAUFMNAGQGNCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c1-2-3-4-5-6-7-10-15-20-16-11-14-18-13-9-8-12-17(18)19/h2-16H2,1H3.
What are the key properties of 1-(3-nonylsulfanylpropyl)piperidin-2-one?
1-(3-nonylsulfanylpropyl)piperidin-2-one has a molecular weight of 299.52 g/mol, XLogP of 4.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nonylsulfanylpropyl)piperidin-2-one is sourced from PubChem (CID 14128038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).