5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione

C10H16N2S — CID 59131802

IUPAC5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione
SMILESCCCN(C)Cc1ccc(=S)[nH]c1
InChIInChI=1S/C10H16N2S/c1-3-6-12(2)8-9-4-5-10(13)11-7-9/h4-5,7H,3,6,8H2,1-2H3,(H,11,13)
InChIKeyUDQOYMXEOXPIBU-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.59
Rot. Bonds4

About 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione

5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione (PubChem CID 59131802) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione
PubChem CID59131802
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione
SMILESCCCN(C)Cc1ccc(=S)[nH]c1
InChIInChI=1S/C10H16N2S/c1-3-6-12(2)8-9-4-5-10(13)11-7-9/h4-5,7H,3,6,8H2,1-2H3,(H,11,13)
InChIKeyUDQOYMXEOXPIBU-UHFFFAOYSA-N
XLogP2.59
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
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 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione?
The IUPAC name of 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione (CID 59131802) is 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione.
What is the SMILES notation for 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione?
The canonical SMILES for 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione is CCCN(C)Cc1ccc(=S)[nH]c1.
What is the InChIKey of 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione?
The InChIKey is UDQOYMXEOXPIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-6-12(2)8-9-4-5-10(13)11-7-9/h4-5,7H,3,6,8H2,1-2H3,(H,11,13).
What are the key properties of 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione?
5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione has a molecular weight of 196.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(propyl)amino]methyl]-1H-pyridine-2-thione is sourced from PubChem (CID 59131802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).