5-[(E)-but-2-enyl]sulfanylpyridin-2-amine

C9H12N2S — CID 43302260

IUPAC5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
SMILESC/C=C/CSc1ccc(N)nc1
InChIInChI=1S/C9H12N2S/c1-2-3-6-12-8-4-5-9(10)11-7-8/h2-5,7H,6H2,1H3,(H2,10,11)/b3-2+
InChIKeyCBVRCSISDJUVSV-NSCUHMNNSA-N
MW180.28 g/mol
LogP2.33
Rot. Bonds3

About 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine

5-[(E)-but-2-enyl]sulfanylpyridin-2-amine (PubChem CID 43302260) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
PubChem CID43302260
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
SMILESC/C=C/CSc1ccc(N)nc1
InChIInChI=1S/C9H12N2S/c1-2-3-6-12-8-4-5-9(10)11-7-8/h2-5,7H,6H2,1H3,(H2,10,11)/b3-2+
InChIKeyCBVRCSISDJUVSV-NSCUHMNNSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine 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-[(E)-but-2-enyl]sulfanylpyridin-2-amine?
The IUPAC name of 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine (CID 43302260) is 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine.
What is the SMILES notation for 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine?
The canonical SMILES for 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine is C/C=C/CSc1ccc(N)nc1.
What is the InChIKey of 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine?
The InChIKey is CBVRCSISDJUVSV-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-3-6-12-8-4-5-9(10)11-7-8/h2-5,7H,6H2,1H3,(H2,10,11)/b3-2+.
What are the key properties of 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine?
5-[(E)-but-2-enyl]sulfanylpyridin-2-amine has a molecular weight of 180.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enyl]sulfanylpyridin-2-amine is sourced from PubChem (CID 43302260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).