5-methyl-6-propylsulfanyl-1,2-dihydropyridine

C9H15NS — CID 67590887

IUPAC5-methyl-6-propylsulfanyl-1,2-dihydropyridine
SMILESCCCSC1=C(C)C=CCN1
InChIInChI=1S/C9H15NS/c1-3-7-11-9-8(2)5-4-6-10-9/h4-5,10H,3,6-7H2,1-2H3
InChIKeyRXYGZQMTVAIJCU-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.52
Rot. Bonds3

About 5-methyl-6-propylsulfanyl-1,2-dihydropyridine

5-methyl-6-propylsulfanyl-1,2-dihydropyridine (PubChem CID 67590887) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-methyl-6-propylsulfanyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-methyl-6-propylsulfanyl-1,2-dihydropyridine
PubChem CID67590887
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-methyl-6-propylsulfanyl-1,2-dihydropyridine
SMILESCCCSC1=C(C)C=CCN1
InChIInChI=1S/C9H15NS/c1-3-7-11-9-8(2)5-4-6-10-9/h4-5,10H,3,6-7H2,1-2H3
InChIKeyRXYGZQMTVAIJCU-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propylsulfanyl-1,2-dihydropyridine?
The IUPAC name of 5-methyl-6-propylsulfanyl-1,2-dihydropyridine (CID 67590887) is 5-methyl-6-propylsulfanyl-1,2-dihydropyridine.
What is the SMILES notation for 5-methyl-6-propylsulfanyl-1,2-dihydropyridine?
The canonical SMILES for 5-methyl-6-propylsulfanyl-1,2-dihydropyridine is CCCSC1=C(C)C=CCN1.
What is the InChIKey of 5-methyl-6-propylsulfanyl-1,2-dihydropyridine?
The InChIKey is RXYGZQMTVAIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-7-11-9-8(2)5-4-6-10-9/h4-5,10H,3,6-7H2,1-2H3.
What are the key properties of 5-methyl-6-propylsulfanyl-1,2-dihydropyridine?
5-methyl-6-propylsulfanyl-1,2-dihydropyridine has a molecular weight of 169.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propylsulfanyl-1,2-dihydropyridine is sourced from PubChem (CID 67590887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).