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

C10H16N2O2S — CID 43446012

IUPAC5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one
SMILESCOCCSCCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2O2S/c1-14-5-7-15-6-4-12-8-9(11)2-3-10(12)13/h2-3,8H,4-7,11H2,1H3
InChIKeyNLEGFVQOMYYSGL-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.81
Rot. Bonds6

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

5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one (PubChem CID 43446012) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one
PubChem CID43446012
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one
SMILESCOCCSCCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2O2S/c1-14-5-7-15-6-4-12-8-9(11)2-3-10(12)13/h2-3,8H,4-7,11H2,1H3
InChIKeyNLEGFVQOMYYSGL-UHFFFAOYSA-N
XLogP0.81
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one (CID 43446012) is 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one is COCCSCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one?
The InChIKey is NLEGFVQOMYYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-5-7-15-6-4-12-8-9(11)2-3-10(12)13/h2-3,8H,4-7,11H2,1H3.
What are the key properties of 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one?
5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one is sourced from PubChem (CID 43446012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).