3-aminosulfanyl-1H-pyridin-2-one

C5H6N2OS — CID 142629756

IUPAC3-aminosulfanyl-1H-pyridin-2-one
SMILESNSc1ccc[nH]c1=O
InChIInChI=1S/C5H6N2OS/c6-9-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKeyZQURPTINSWFOHN-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.34
Rot. Bonds1

About 3-aminosulfanyl-1H-pyridin-2-one

3-aminosulfanyl-1H-pyridin-2-one (PubChem CID 142629756) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-aminosulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-aminosulfanyl-1H-pyridin-2-one
PubChem CID142629756
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name3-aminosulfanyl-1H-pyridin-2-one
SMILESNSc1ccc[nH]c1=O
InChIInChI=1S/C5H6N2OS/c6-9-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKeyZQURPTINSWFOHN-UHFFFAOYSA-N
XLogP0.34
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminosulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-aminosulfanyl-1H-pyridin-2-one (CID 142629756) is 3-aminosulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-aminosulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-aminosulfanyl-1H-pyridin-2-one is NSc1ccc[nH]c1=O.
What is the InChIKey of 3-aminosulfanyl-1H-pyridin-2-one?
The InChIKey is ZQURPTINSWFOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c6-9-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8).
What are the key properties of 3-aminosulfanyl-1H-pyridin-2-one?
3-aminosulfanyl-1H-pyridin-2-one has a molecular weight of 142.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminosulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 142629756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).