(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol

C10H13NOS2 — CID 168894711

IUPAC(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol
SMILESO[C@@H]1CCCC1SSc1ccccn1
InChIInChI=1S/C10H13NOS2/c12-8-4-3-5-9(8)13-14-10-6-1-2-7-11-10/h1-2,6-9,12H,3-5H2/t8-,9?/m1/s1
InChIKeyRUPKOFAQJJCZET-VEDVMXKPSA-N
MW227.35 g/mol
LogP2.74
Rot. Bonds3

About (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol

(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol (PubChem CID 168894711) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol
PubChem CID168894711
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol
SMILESO[C@@H]1CCCC1SSc1ccccn1
InChIInChI=1S/C10H13NOS2/c12-8-4-3-5-9(8)13-14-10-6-1-2-7-11-10/h1-2,6-9,12H,3-5H2/t8-,9?/m1/s1
InChIKeyRUPKOFAQJJCZET-VEDVMXKPSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol 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 (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol?
The IUPAC name of (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol (CID 168894711) is (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol.
What is the SMILES notation for (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol?
The canonical SMILES for (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol is O[C@@H]1CCCC1SSc1ccccn1.
What is the InChIKey of (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol?
The InChIKey is RUPKOFAQJJCZET-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H13NOS2/c12-8-4-3-5-9(8)13-14-10-6-1-2-7-11-10/h1-2,6-9,12H,3-5H2/t8-,9?/m1/s1.
What are the key properties of (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol?
(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol is sourced from PubChem (CID 168894711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).