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

C8H15NS — CID 19933891

IUPAC1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
SMILESCSCC1=CCCN(C)C1
InChIInChI=1S/C8H15NS/c1-9-5-3-4-8(6-9)7-10-2/h4H,3,5-7H2,1-2H3
InChIKeyJHCOQYAVIUITNI-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds2

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

1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 19933891) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID19933891
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
SMILESCSCC1=CCCN(C)C1
InChIInChI=1S/C8H15NS/c1-9-5-3-4-8(6-9)7-10-2/h4H,3,5-7H2,1-2H3
InChIKeyJHCOQYAVIUITNI-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
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
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
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
1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779
1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345780
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine (CID 19933891) is 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine is CSCC1=CCCN(C)C1.
What is the InChIKey of 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is JHCOQYAVIUITNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-5-3-4-8(6-9)7-10-2/h4H,3,5-7H2,1-2H3.
What are the key properties of 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 157.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19933891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).