5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine

C9H17NS — CID 19933889

IUPAC5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCSCC1=CCCN(C)C1
InChIInChI=1S/C9H17NS/c1-3-11-8-9-5-4-6-10(2)7-9/h5H,3-4,6-8H2,1-2H3
InChIKeyZZPTVGDERFWMAK-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.00
Rot. Bonds3

About 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine

5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 19933889) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID19933889
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCSCC1=CCCN(C)C1
InChIInChI=1S/C9H17NS/c1-3-11-8-9-5-4-6-10(2)7-9/h5H,3-4,6-8H2,1-2H3
InChIKeyZZPTVGDERFWMAK-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(ethylsulfanylmethyl)-1-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-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 19933889) is 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine is CCSCC1=CCCN(C)C1.
What is the InChIKey of 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZZPTVGDERFWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-11-8-9-5-4-6-10(2)7-9/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).