5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one

C10H16N2OS — CID 43260359

IUPAC5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one
SMILESCCSCCCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2OS/c1-2-14-7-3-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyBIWRARZQAGNEDU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.57
Rot. Bonds5

About 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one

5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one (PubChem CID 43260359) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one
PubChem CID43260359
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one
SMILESCCSCCCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2OS/c1-2-14-7-3-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7,11H2,1H3
InChIKeyBIWRARZQAGNEDU-UHFFFAOYSA-N
XLogP1.57
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-(3-ethylsulfanylpropyl)pyridin-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 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one (CID 43260359) is 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one is CCSCCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one?
The InChIKey is BIWRARZQAGNEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-14-7-3-6-12-8-9(11)4-5-10(12)13/h4-5,8H,2-3,6-7,11H2,1H3.
What are the key properties of 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one?
5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-ethylsulfanylpropyl)pyridin-2-one is sourced from PubChem (CID 43260359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).