5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one

C14H16N2O4S — CID 43806876

IUPAC5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one
SMILESCS(=O)(=O)c1ccc(OCCn2cc(N)ccc2=O)cc1
InChIInChI=1S/C14H16N2O4S/c1-21(18,19)13-5-3-12(4-6-13)20-9-8-16-10-11(15)2-7-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyRZFHVGIAGXOWRA-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.91
Rot. Bonds5

About 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one

5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one (PubChem CID 43806876) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one
PubChem CID43806876
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one
SMILESCS(=O)(=O)c1ccc(OCCn2cc(N)ccc2=O)cc1
InChIInChI=1S/C14H16N2O4S/c1-21(18,19)13-5-3-12(4-6-13)20-9-8-16-10-11(15)2-7-14(16)17/h2-7,10H,8-9,15H2,1H3
InChIKeyRZFHVGIAGXOWRA-UHFFFAOYSA-N
XLogP0.91
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one
CID 115492319
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
CID 43260140
5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one
CID 43260157
5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
CID 64601750
5-amino-1-[3-(4-bromo-3-methylphenoxy)propyl]pyridin-2-one
CID 83133851
2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
CID 56871314
5-amino-1-[2-(3,4-dimethylphenyl)sulfonylethyl]pyridin-2-one
CID 43444230
1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one
CID 82152119
5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
5-amino-1-[3-(2-methylsulfonylethylsulfanyl)propyl]pyridin-2-one
CID 63659376
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one (CID 43806876) is 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one is CS(=O)(=O)c1ccc(OCCn2cc(N)ccc2=O)cc1.
What is the InChIKey of 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one?
The InChIKey is RZFHVGIAGXOWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-21(18,19)13-5-3-12(4-6-13)20-9-8-16-10-11(15)2-7-14(16)17/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one has a molecular weight of 308.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 43806876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).