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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Related Compounds

4-amino-3,4-dihydro-2H-naphthalen-1-one
CID 13738660
4-Amino-1,2,3,4-tetrahydronaphthalen-1-one hydrochloride
CID 20327320
2-Methyl-5-methylsulfanylbenzamide
CID 43244706
n-Cyclohexyl-2-methyl-5-(methylthio)benzamide
CID 40142803
1-[2-(2-Aminoethyl)-4-methylsulfanylphenyl]hexan-1-one
CID 23329433
1-[2-(2-Aminoethyl)-4-methylsulfanylphenyl]ethanone
CID 54505671
(S)-4-Amino-3,4-dihydronaphthalen-1(2H)-one
CID 54548767
(R)-4-amino-3,4-dihydronaphthalen-1(2H)-one
CID 66926982
2-Methyl-4-methylsulfanylbenzamide
CID 67773310
(S)-1,2,3,4-tetrahydro-4-oxo-1-naphthylamine hydrochloride
CID 70618924
1-[4-(2-Aminoethylsulfonyl)-2-(aminomethyl)phenyl]ethanone
CID 118351960
S-methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carbothioate
CID 123532443

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).