4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one

C11H13NOS — CID 130040409

IUPAC4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCSc1ccc2c(c1)C(=O)CCC2N
InChIInChI=1S/C11H13NOS/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-3,6,10H,4-5,12H2,1H3
InChIKeyBSVBWFSWFUMBON-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.38
Rot. Bonds1

About 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one

4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 130040409) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID130040409
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCSc1ccc2c(c1)C(=O)CCC2N
InChIInChI=1S/C11H13NOS/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-3,6,10H,4-5,12H2,1H3
InChIKeyBSVBWFSWFUMBON-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one (CID 130040409) is 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one is CSc1ccc2c(c1)C(=O)CCC2N.
What is the InChIKey of 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BSVBWFSWFUMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-14-7-2-3-8-9(6-7)11(13)5-4-10(8)12/h2-3,6,10H,4-5,12H2,1H3.
What are the key properties of 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one?
4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 207.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 130040409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).