5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one

C11H18N2O2S — CID 43446011

IUPAC5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one
SMILESCOCCSCCCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2O2S/c1-15-6-8-16-7-2-5-13-9-10(12)3-4-11(13)14/h3-4,9H,2,5-8,12H2,1H3
InChIKeyGIWSIFKWEWUQKV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.20
Rot. Bonds7

About 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one

5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one (PubChem CID 43446011) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one
PubChem CID43446011
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one
SMILESCOCCSCCCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2O2S/c1-15-6-8-16-7-2-5-13-9-10(12)3-4-11(13)14/h3-4,9H,2,5-8,12H2,1H3
InChIKeyGIWSIFKWEWUQKV-UHFFFAOYSA-N
XLogP1.20
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.20
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-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one (CID 43446011) is 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one is COCCSCCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one?
The InChIKey is GIWSIFKWEWUQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-15-6-8-16-7-2-5-13-9-10(12)3-4-11(13)14/h3-4,9H,2,5-8,12H2,1H3.
What are the key properties of 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one?
5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one is sourced from PubChem (CID 43446011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).