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'}

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Related Compounds

4-[(Ethylthio)methyl]-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442215
1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442222
2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
CID 3047919
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442223
1-ethyl-4-(ethylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442224
1-methyl-4-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442226
1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442227
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium iodide
CID 14442231
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442232
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
1-[2-[(dimethylamino)methyl]-6-methylidenethiopyran-4-yl]-N,N-dimethylmethanamine
CID 20690183
1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779

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).