5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide

C11H16N4O2S — CID 63589022

IUPAC5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CSc2ccc(N)nc2)O1
InChIInChI=1S/C11H16N4O2S/c12-10-4-2-8(5-14-10)18-6-7-1-3-9(17-7)11(16)15-13/h2,4-5,7,9H,1,3,6,13H2,(H2,12,14)(H,15,16)
InChIKeyFYZQHNLSXBFKTI-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.29
Rot. Bonds4

About 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide

5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide (PubChem CID 63589022) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide
PubChem CID63589022
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CSc2ccc(N)nc2)O1
InChIInChI=1S/C11H16N4O2S/c12-10-4-2-8(5-14-10)18-6-7-1-3-9(17-7)11(16)15-13/h2,4-5,7,9H,1,3,6,13H2,(H2,12,14)(H,15,16)
InChIKeyFYZQHNLSXBFKTI-UHFFFAOYSA-N
XLogP0.29
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide (CID 63589022) is 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CSc2ccc(N)nc2)O1.
What is the InChIKey of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide?
The InChIKey is FYZQHNLSXBFKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-10-4-2-8(5-14-10)18-6-7-1-3-9(17-7)11(16)15-13/h2,4-5,7,9H,1,3,6,13H2,(H2,12,14)(H,15,16).
What are the key properties of 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide?
5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide has a molecular weight of 268.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-3-pyridinyl)sulfanylmethyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63589022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).