3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione

C8H12N2S — CID 55292473

IUPAC3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione
SMILESCC[C@H](N)c1ccc[nH]c1=S
InChIInChI=1S/C8H12N2S/c1-2-7(9)6-4-3-5-10-8(6)11/h3-5,7H,2,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyAISNRJRVQUZASW-ZETCQYMHSA-N
MW168.27 g/mol
LogP2.15
Rot. Bonds2

About 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione

3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione (PubChem CID 55292473) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione
PubChem CID55292473
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione
SMILESCC[C@H](N)c1ccc[nH]c1=S
InChIInChI=1S/C8H12N2S/c1-2-7(9)6-4-3-5-10-8(6)11/h3-5,7H,2,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyAISNRJRVQUZASW-ZETCQYMHSA-N
XLogP2.15
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione?
The IUPAC name of 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione (CID 55292473) is 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione?
The canonical SMILES for 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione is CC[C@H](N)c1ccc[nH]c1=S.
What is the InChIKey of 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione?
The InChIKey is AISNRJRVQUZASW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-7(9)6-4-3-5-10-8(6)11/h3-5,7H,2,9H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione?
3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione has a molecular weight of 168.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminopropyl]-1H-pyridine-2-thione is sourced from PubChem (CID 55292473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).