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

C9H17NS — CID 14442227

IUPAC1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
SMILESCSC(C)C1=CCN(C)CC1
InChIInChI=1S/C9H17NS/c1-8(11-3)9-4-6-10(2)7-5-9/h4,8H,5-7H2,1-3H3
InChIKeyFGTYQBDSBPVLCN-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.00
Rot. Bonds2

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

1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 14442227) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
PubChem CID14442227
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
SMILESCSC(C)C1=CCN(C)CC1
InChIInChI=1S/C9H17NS/c1-8(11-3)9-4-6-10(2)7-5-9/h4,8H,5-7H2,1-3H3
InChIKeyFGTYQBDSBPVLCN-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine (CID 14442227) is 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine is CSC(C)C1=CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FGTYQBDSBPVLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(11-3)9-4-6-10(2)7-5-9/h4,8H,5-7H2,1-3H3.
What are the key properties of 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).