2-(methylsulfanylmethyl)-1,4-dihydropyridine

C7H11NS — CID 70065395

IUPAC2-(methylsulfanylmethyl)-1,4-dihydropyridine
SMILESCSCC1=CCC=CN1
InChIInChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h3-5,8H,2,6H2,1H3
InChIKeyJHGAPYAWZKSOBD-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.74
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1,4-dihydropyridine

2-(methylsulfanylmethyl)-1,4-dihydropyridine (PubChem CID 70065395) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,4-dihydropyridine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,4-dihydropyridine
PubChem CID70065395
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-(methylsulfanylmethyl)-1,4-dihydropyridine
SMILESCSCC1=CCC=CN1
InChIInChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h3-5,8H,2,6H2,1H3
InChIKeyJHGAPYAWZKSOBD-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,4-dihydropyridine?
The IUPAC name of 2-(methylsulfanylmethyl)-1,4-dihydropyridine (CID 70065395) is 2-(methylsulfanylmethyl)-1,4-dihydropyridine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,4-dihydropyridine?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,4-dihydropyridine is CSCC1=CCC=CN1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,4-dihydropyridine?
The InChIKey is JHGAPYAWZKSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-9-6-7-4-2-3-5-8-7/h3-5,8H,2,6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,4-dihydropyridine?
2-(methylsulfanylmethyl)-1,4-dihydropyridine has a molecular weight of 141.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,4-dihydropyridine is sourced from PubChem (CID 70065395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).