5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one

C13H20N2OS — CID 55177922

IUPAC5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSCC2CCCC2)c1
InChIInChI=1S/C13H20N2OS/c14-12-5-6-13(16)15(9-12)7-8-17-10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10,14H2
InChIKeyRZTCIOCXAZRCLU-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.35
Rot. Bonds5

About 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one

5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one (PubChem CID 55177922) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one
PubChem CID55177922
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSCC2CCCC2)c1
InChIInChI=1S/C13H20N2OS/c14-12-5-6-13(16)15(9-12)7-8-17-10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10,14H2
InChIKeyRZTCIOCXAZRCLU-UHFFFAOYSA-N
XLogP2.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one (CID 55177922) is 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCSCC2CCCC2)c1.
What is the InChIKey of 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one?
The InChIKey is RZTCIOCXAZRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-12-5-6-13(16)15(9-12)7-8-17-10-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,10,14H2.
What are the key properties of 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one?
5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one has a molecular weight of 252.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one is sourced from PubChem (CID 55177922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).