5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine

C9H15NS — CID 146670211

IUPAC5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine
SMILESCCSC1=C(CC)C=NCC1
InChIInChI=1S/C9H15NS/c1-3-8-7-10-6-5-9(8)11-4-2/h7H,3-6H2,1-2H3
InChIKeyATVVQDVEBCKBSO-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.88
Rot. Bonds3

About 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine

5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine (PubChem CID 146670211) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine
PubChem CID146670211
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine
SMILESCCSC1=C(CC)C=NCC1
InChIInChI=1S/C9H15NS/c1-3-8-7-10-6-5-9(8)11-4-2/h7H,3-6H2,1-2H3
InChIKeyATVVQDVEBCKBSO-UHFFFAOYSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine (CID 146670211) is 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine is CCSC1=C(CC)C=NCC1.
What is the InChIKey of 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine?
The InChIKey is ATVVQDVEBCKBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-8-7-10-6-5-9(8)11-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine?
5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine has a molecular weight of 169.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-ethylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 146670211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).