potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate

C7H6KN3O3S2 — CID 87740635

IUPACpotassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate
SMILESO=C([O-])N(S)N(S)C(=O)c1ccncc1.[K+]
InChIInChI=1S/C7H7N3O3S2.K/c11-6(5-1-3-8-4-2-5)9(14)10(15)7(12)13;/h1-4,14-15H,(H,12,13);/q;+1/p-1
InChIKeyRDIOVGQCWZJTJS-UHFFFAOYSA-M
MW283.38 g/mol
LogP-3.22
Rot. Bonds1

About potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate

potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate (PubChem CID 87740635) has the molecular formula C7H6KN3O3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate.

Molecular Properties

Compound Namepotassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate
PubChem CID87740635
Molecular FormulaC7H6KN3O3S2
Molecular Weight283.38 g/mol
Exact Mass282.95
IUPAC Namepotassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate
SMILESO=C([O-])N(S)N(S)C(=O)c1ccncc1.[K+]
InChIInChI=1S/C7H7N3O3S2.K/c11-6(5-1-3-8-4-2-5)9(14)10(15)7(12)13;/h1-4,14-15H,(H,12,13);/q;+1/p-1
InChIKeyRDIOVGQCWZJTJS-UHFFFAOYSA-M
XLogP-3.22
TPSA76.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-3.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate?
The IUPAC name of potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate (CID 87740635) is potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate.
What is the SMILES notation for potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate?
The canonical SMILES for potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate is O=C([O-])N(S)N(S)C(=O)c1ccncc1.[K+].
What is the InChIKey of potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate?
The InChIKey is RDIOVGQCWZJTJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N3O3S2.K/c11-6(5-1-3-8-4-2-5)9(14)10(15)7(12)13;/h1-4,14-15H,(H,12,13);/q;+1/p-1.
What are the key properties of potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate?
potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate has a molecular weight of 283.38 g/mol, XLogP of -3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate is sourced from PubChem (CID 87740635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).