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

C10H19NS — CID 14442223

IUPAC1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
SMILESCCCSCC1=CCN(C)CC1
InChIInChI=1S/C10H19NS/c1-3-8-12-9-10-4-6-11(2)7-5-10/h4H,3,5-9H2,1-2H3
InChIKeyIEUMBHBHIKBUAE-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds4

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

1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 14442223) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID14442223
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
SMILESCCCSCC1=CCN(C)CC1
InChIInChI=1S/C10H19NS/c1-3-8-12-9-10-4-6-11(2)7-5-10/h4H,3,5-9H2,1-2H3
InChIKeyIEUMBHBHIKBUAE-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine (CID 14442223) is 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine is CCCSCC1=CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is IEUMBHBHIKBUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-8-12-9-10-4-6-11(2)7-5-10/h4H,3,5-9H2,1-2H3.
What are the key properties of 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).