6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine

C8H13NS — CID 167050114

IUPAC6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine
SMILESCSCC1C=CC=C(C)N1
InChIInChI=1S/C8H13NS/c1-7-4-3-5-8(9-7)6-10-2/h3-5,8-9H,6H2,1-2H3
InChIKeyNPJQHVDZTIKPCJ-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.78
Rot. Bonds2

About 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine

6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine (PubChem CID 167050114) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine
PubChem CID167050114
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine
SMILESCSCC1C=CC=C(C)N1
InChIInChI=1S/C8H13NS/c1-7-4-3-5-8(9-7)6-10-2/h3-5,8-9H,6H2,1-2H3
InChIKeyNPJQHVDZTIKPCJ-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine?
The IUPAC name of 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine (CID 167050114) is 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine is CSCC1C=CC=C(C)N1.
What is the InChIKey of 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine?
The InChIKey is NPJQHVDZTIKPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-4-3-5-8(9-7)6-10-2/h3-5,8-9H,6H2,1-2H3.
What are the key properties of 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine?
6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine has a molecular weight of 155.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylsulfanylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 167050114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).