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

C9H17NS — CID 14442215

IUPAC4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCSCC1=CCN(C)CC1
InChIInChI=1S/C9H17NS/c1-3-11-8-9-4-6-10(2)7-5-9/h4H,3,5-8H2,1-2H3
InChIKeyYUPXUZDZLQDCMU-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.00
Rot. Bonds3

About 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 14442215) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID14442215
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCSCC1=CCN(C)CC1
InChIInChI=1S/C9H17NS/c1-3-11-8-9-4-6-10(2)7-5-9/h4H,3,5-8H2,1-2H3
InChIKeyYUPXUZDZLQDCMU-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

1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442222
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
2,2-Dimethyl-4-(2-methylidenebutyl)thiomorpholine
CID 130612248
5-fluoro-1-[(1-methylsulfanylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
CID 130671554
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-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 14442215) is 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine is CCSCC1=CCN(C)CC1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is YUPXUZDZLQDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-11-8-9-4-6-10(2)7-5-9/h4H,3,5-8H2,1-2H3.
What are the key properties of 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(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 4-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).