7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one

C15H14N2OS — CID 143781214

IUPAC7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESNSc1cccc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C15H14N2OS/c16-19-15-6-2-4-13(17-15)11-8-7-10-3-1-5-14(18)12(10)9-11/h2,4,6-9H,1,3,5,16H2
InChIKeyLKINHMNEKYYZLZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.23
Rot. Bonds2

About 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one

7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 143781214) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID143781214
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESNSc1cccc(-c2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C15H14N2OS/c16-19-15-6-2-4-13(17-15)11-8-7-10-3-1-5-14(18)12(10)9-11/h2,4,6-9H,1,3,5,16H2
InChIKeyLKINHMNEKYYZLZ-UHFFFAOYSA-N
XLogP3.23
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one (CID 143781214) is 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one is NSc1cccc(-c2ccc3c(c2)C(=O)CCC3)n1.
What is the InChIKey of 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LKINHMNEKYYZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-19-15-6-2-4-13(17-15)11-8-7-10-3-1-5-14(18)12(10)9-11/h2,4,6-9H,1,3,5,16H2.
What are the key properties of 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one?
7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 270.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-aminosulfanyl-2-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 143781214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).