ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione

C11H20N2S — CID 170638889

IUPACethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione
SMILESCC.CCNC(C)c1ccc[nH]c1=S
InChIInChI=1S/C9H14N2S.C2H6/c1-3-10-7(2)8-5-4-6-11-9(8)12;1-2/h4-7,10H,3H2,1-2H3,(H,11,12);1-2H3
InChIKeyFNAVRNBPHCECTE-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.44
Rot. Bonds3

About ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione

ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione (PubChem CID 170638889) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Nameethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione
PubChem CID170638889
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Nameethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione
SMILESCC.CCNC(C)c1ccc[nH]c1=S
InChIInChI=1S/C9H14N2S.C2H6/c1-3-10-7(2)8-5-4-6-11-9(8)12;1-2/h4-7,10H,3H2,1-2H3,(H,11,12);1-2H3
InChIKeyFNAVRNBPHCECTE-UHFFFAOYSA-N
XLogP3.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione 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 ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione?
The IUPAC name of ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione (CID 170638889) is ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione.
What is the SMILES notation for ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione?
The canonical SMILES for ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione is CC.CCNC(C)c1ccc[nH]c1=S.
What is the InChIKey of ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione?
The InChIKey is FNAVRNBPHCECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C2H6/c1-3-10-7(2)8-5-4-6-11-9(8)12;1-2/h4-7,10H,3H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione?
ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione has a molecular weight of 212.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-(ethylamino)ethyl]-1H-pyridine-2-thione is sourced from PubChem (CID 170638889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).