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

C13H16N2O2S — CID 43260375

IUPAC5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCSCc2ccco2)c1
InChIInChI=1S/C13H16N2O2S/c14-11-4-5-13(16)15(9-11)6-2-8-18-10-12-3-1-7-17-12/h1,3-5,7,9H,2,6,8,10,14H2
InChIKeyUIEQCIRBIALECE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.35
Rot. Bonds6

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

5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one (PubChem CID 43260375) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one
PubChem CID43260375
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCSCc2ccco2)c1
InChIInChI=1S/C13H16N2O2S/c14-11-4-5-13(16)15(9-11)6-2-8-18-10-12-3-1-7-17-12/h1,3-5,7,9H,2,6,8,10,14H2
InChIKeyUIEQCIRBIALECE-UHFFFAOYSA-N
XLogP2.35
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.35
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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Related Compounds

5-amino-1-[3-(2-methylsulfonylethylsulfanyl)propyl]pyridin-2-one
CID 63659376
5-amino-1-[3-(2-methoxyethylsulfanyl)propyl]pyridin-2-one
CID 43446011
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
2-(3-methylsulfonylpropylsulfanylmethyl)furan
CID 71930272
5-amino-1-[3-(2-bromophenyl)sulfanylpropyl]pyridin-2-one
CID 43260395
5-amino-1-(5-hydroxypentyl)pyridin-2-one
CID 62228479
2-(5-amino-2-oxo-1-pyridinyl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 62815479
5-amino-1-[3-(dimethylamino)propyl]pyridin-2-one
CID 43259607
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979241
5-amino-1-[2-(2-methoxyethylsulfanyl)ethyl]pyridin-2-one
CID 43446012
1-[2-(furan-2-ylmethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63581379

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one (CID 43260375) is 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one is Nc1ccc(=O)n(CCCSCc2ccco2)c1.
What is the InChIKey of 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one?
The InChIKey is UIEQCIRBIALECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c14-11-4-5-13(16)15(9-11)6-2-8-18-10-12-3-1-7-17-12/h1,3-5,7,9H,2,6,8,10,14H2.
What are the key properties of 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one?
5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(furan-2-ylmethylsulfanyl)propyl]pyridin-2-one is sourced from PubChem (CID 43260375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).