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

C16H31NOS — CID 14625937

IUPAC1-(3-nonylsulfanylpropyl)pyrrolidin-2-one
SMILESCCCCCCCCCSCCCN1CCCC1=O
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-14-19-15-10-13-17-12-9-11-16(17)18/h2-15H2,1H3
InChIKeyWWGVNNJARJZEPW-UHFFFAOYSA-N
MW285.50 g/mol
LogP4.48
Rot. Bonds12

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

1-(3-nonylsulfanylpropyl)pyrrolidin-2-one (PubChem CID 14625937) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-nonylsulfanylpropyl)pyrrolidin-2-one
PubChem CID14625937
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name1-(3-nonylsulfanylpropyl)pyrrolidin-2-one
SMILESCCCCCCCCCSCCCN1CCCC1=O
InChIInChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-14-19-15-10-13-17-12-9-11-16(17)18/h2-15H2,1H3
InChIKeyWWGVNNJARJZEPW-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one 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-nonylsulfanylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one (CID 14625937) is 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one is CCCCCCCCCSCCCN1CCCC1=O.
What is the InChIKey of 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one?
The InChIKey is WWGVNNJARJZEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-14-19-15-10-13-17-12-9-11-16(17)18/h2-15H2,1H3.
What are the key properties of 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one?
1-(3-nonylsulfanylpropyl)pyrrolidin-2-one has a molecular weight of 285.50 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nonylsulfanylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 14625937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).