8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one

C17H17NOS — CID 22120393

IUPAC8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCSc1ccc(-c2ccccn2)c2c1C(=O)CCC2
InChIInChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3
InChIKeyGIWBACLLMIJHCB-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.38
Rot. Bonds3

About 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one

8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22120393) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22120393
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCSc1ccc(-c2ccccn2)c2c1C(=O)CCC2
InChIInChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3
InChIKeyGIWBACLLMIJHCB-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one (CID 22120393) is 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one is CCSc1ccc(-c2ccccn2)c2c1C(=O)CCC2.
What is the InChIKey of 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GIWBACLLMIJHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3.
What are the key properties of 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one?
8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 283.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22120393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).