3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine

C10H19NS — CID 130678699

IUPAC3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
SMILESCSCCN1CC(C)=CC(C)C1
InChIInChI=1S/C10H19NS/c1-9-6-10(2)8-11(7-9)4-5-12-3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyBFDSIJSZJMZSFS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.25
Rot. Bonds3

About 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine

3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 130678699) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
PubChem CID130678699
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
SMILESCSCCN1CC(C)=CC(C)C1
InChIInChI=1S/C10H19NS/c1-9-6-10(2)8-11(7-9)4-5-12-3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyBFDSIJSZJMZSFS-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.25
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-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033
1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
CID 89197925

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine (CID 130678699) is 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine is CSCCN1CC(C)=CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BFDSIJSZJMZSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9-6-10(2)8-11(7-9)4-5-12-3/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 185.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130678699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).