1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile

C9H8N2S — CID 167301767

IUPAC1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(S)cn2)CC1
InChIInChI=1S/C9H8N2S/c10-6-9(3-4-9)8-2-1-7(12)5-11-8/h1-2,5,12H,3-4H2
InChIKeyURFXRVUIACJEEB-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.93
Rot. Bonds1

About 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile

1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 167301767) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID167301767
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(S)cn2)CC1
InChIInChI=1S/C9H8N2S/c10-6-9(3-4-9)8-2-1-7(12)5-11-8/h1-2,5,12H,3-4H2
InChIKeyURFXRVUIACJEEB-UHFFFAOYSA-N
XLogP1.93
TPSA36.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile 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 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile (CID 167301767) is 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(S)cn2)CC1.
What is the InChIKey of 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is URFXRVUIACJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-6-9(3-4-9)8-2-1-7(12)5-11-8/h1-2,5,12H,3-4H2.
What are the key properties of 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile?
1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 176.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-sulfanyl-2-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 167301767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).