5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine

C11H19NS — CID 130662610

IUPAC5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCSC1(CN2CCC=C(C)C2)CC1
InChIInChI=1S/C11H19NS/c1-10-4-3-7-12(8-10)9-11(13-2)5-6-11/h4H,3,5-9H2,1-2H3
InChIKeyZYBDFSGRAKEUKJ-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.53
Rot. Bonds3

About 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine

5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 130662610) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID130662610
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCSC1(CN2CCC=C(C)C2)CC1
InChIInChI=1S/C11H19NS/c1-10-4-3-7-12(8-10)9-11(13-2)5-6-11/h4H,3,5-9H2,1-2H3
InChIKeyZYBDFSGRAKEUKJ-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine 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 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (CID 130662610) is 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is CSC1(CN2CCC=C(C)C2)CC1.
What is the InChIKey of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is ZYBDFSGRAKEUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-10-4-3-7-12(8-10)9-11(13-2)5-6-11/h4H,3,5-9H2,1-2H3.
What are the key properties of 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 197.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130662610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).