3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione

C14H22N2S — CID 102542668

IUPAC3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione
SMILESCc1cc(C2CCCN2CC(C)C)c[nH]c1=S
InChIInChI=1S/C14H22N2S/c1-10(2)9-16-6-4-5-13(16)12-7-11(3)14(17)15-8-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyDPQCNVHLSZFYTK-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.85
Rot. Bonds3

About 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione

3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione (PubChem CID 102542668) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione
PubChem CID102542668
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione
SMILESCc1cc(C2CCCN2CC(C)C)c[nH]c1=S
InChIInChI=1S/C14H22N2S/c1-10(2)9-16-6-4-5-13(16)12-7-11(3)14(17)15-8-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyDPQCNVHLSZFYTK-UHFFFAOYSA-N
XLogP3.85
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-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 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione?
The IUPAC name of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione (CID 102542668) is 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione?
The canonical SMILES for 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione is Cc1cc(C2CCCN2CC(C)C)c[nH]c1=S.
What is the InChIKey of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione?
The InChIKey is DPQCNVHLSZFYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10(2)9-16-6-4-5-13(16)12-7-11(3)14(17)15-8-12/h7-8,10,13H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione?
3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione has a molecular weight of 250.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione is sourced from PubChem (CID 102542668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).