2-butylsulfanylpyridin-3-amine

C9H14N2S — CID 43300724

IUPAC2-butylsulfanylpyridin-3-amine
SMILESCCCCSc1ncccc1N
InChIInChI=1S/C9H14N2S/c1-2-3-7-12-9-8(10)5-4-6-11-9/h4-6H,2-3,7,10H2,1H3
InChIKeyOKSUNTDOZVCKKU-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.56
Rot. Bonds4

About 2-butylsulfanylpyridin-3-amine

2-butylsulfanylpyridin-3-amine (PubChem CID 43300724) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-butylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfanylpyridin-3-amine
PubChem CID43300724
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-butylsulfanylpyridin-3-amine
SMILESCCCCSc1ncccc1N
InChIInChI=1S/C9H14N2S/c1-2-3-7-12-9-8(10)5-4-6-11-9/h4-6H,2-3,7,10H2,1H3
InChIKeyOKSUNTDOZVCKKU-UHFFFAOYSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butylsulfanylpyridin-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 2-butylsulfanylpyridin-3-amine?
The IUPAC name of 2-butylsulfanylpyridin-3-amine (CID 43300724) is 2-butylsulfanylpyridin-3-amine.
What is the SMILES notation for 2-butylsulfanylpyridin-3-amine?
The canonical SMILES for 2-butylsulfanylpyridin-3-amine is CCCCSc1ncccc1N.
What is the InChIKey of 2-butylsulfanylpyridin-3-amine?
The InChIKey is OKSUNTDOZVCKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-3-7-12-9-8(10)5-4-6-11-9/h4-6H,2-3,7,10H2,1H3.
What are the key properties of 2-butylsulfanylpyridin-3-amine?
2-butylsulfanylpyridin-3-amine has a molecular weight of 182.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanylpyridin-3-amine is sourced from PubChem (CID 43300724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).