4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine

C8H9ClN2S — CID 43300179

IUPAC4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
SMILESC=C(Cl)CSc1ccncc1N
InChIInChI=1S/C8H9ClN2S/c1-6(9)5-12-8-2-3-11-4-7(8)10/h2-4H,1,5,10H2
InChIKeyVTIHVMNGQKTAMD-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.51
Rot. Bonds3

About 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine

4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine (PubChem CID 43300179) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
PubChem CID43300179
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
SMILESC=C(Cl)CSc1ccncc1N
InChIInChI=1S/C8H9ClN2S/c1-6(9)5-12-8-2-3-11-4-7(8)10/h2-4H,1,5,10H2
InChIKeyVTIHVMNGQKTAMD-UHFFFAOYSA-N
XLogP2.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-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 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine (CID 43300179) is 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine is C=C(Cl)CSc1ccncc1N.
What is the InChIKey of 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine?
The InChIKey is VTIHVMNGQKTAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c1-6(9)5-12-8-2-3-11-4-7(8)10/h2-4H,1,5,10H2.
What are the key properties of 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine?
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine has a molecular weight of 200.69 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43300179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).