4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one

C11H10N2OS — CID 59457948

IUPAC4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one
SMILESNc1ccc(Sc2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C11H10N2OS/c12-8-1-3-9(4-2-8)15-10-5-6-13-11(14)7-10/h1-7H,12H2,(H,13,14)
InChIKeyHSTOKNJBYNIEGN-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.11
Rot. Bonds2

About 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one

4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one (PubChem CID 59457948) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one
PubChem CID59457948
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one
SMILESNc1ccc(Sc2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C11H10N2OS/c12-8-1-3-9(4-2-8)15-10-5-6-13-11(14)7-10/h1-7H,12H2,(H,13,14)
InChIKeyHSTOKNJBYNIEGN-UHFFFAOYSA-N
XLogP2.11
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one (CID 59457948) is 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one is Nc1ccc(Sc2cc[nH]c(=O)c2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one?
The InChIKey is HSTOKNJBYNIEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c12-8-1-3-9(4-2-8)15-10-5-6-13-11(14)7-10/h1-7H,12H2,(H,13,14).
What are the key properties of 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one?
4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one has a molecular weight of 218.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 59457948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).