5-methylsulfonylnaphthalen-1-amine

C11H11NO2S — CID 23423655

IUPAC5-methylsulfonylnaphthalen-1-amine
SMILESCS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C11H11NO2S/c1-15(13,14)11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,12H2,1H3
InChIKeyCLIVBZOFLLDABH-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.83
Rot. Bonds1

About 5-methylsulfonylnaphthalen-1-amine

5-methylsulfonylnaphthalen-1-amine (PubChem CID 23423655) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-methylsulfonylnaphthalen-1-amine.

Molecular Properties

Compound Name5-methylsulfonylnaphthalen-1-amine
PubChem CID23423655
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-methylsulfonylnaphthalen-1-amine
SMILESCS(=O)(=O)c1cccc2c(N)cccc12
InChIInChI=1S/C11H11NO2S/c1-15(13,14)11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,12H2,1H3
InChIKeyCLIVBZOFLLDABH-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonylnaphthalen-1-amine?
The IUPAC name of 5-methylsulfonylnaphthalen-1-amine (CID 23423655) is 5-methylsulfonylnaphthalen-1-amine.
What is the SMILES notation for 5-methylsulfonylnaphthalen-1-amine?
The canonical SMILES for 5-methylsulfonylnaphthalen-1-amine is CS(=O)(=O)c1cccc2c(N)cccc12.
What is the InChIKey of 5-methylsulfonylnaphthalen-1-amine?
The InChIKey is CLIVBZOFLLDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-15(13,14)11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7H,12H2,1H3.
What are the key properties of 5-methylsulfonylnaphthalen-1-amine?
5-methylsulfonylnaphthalen-1-amine has a molecular weight of 221.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonylnaphthalen-1-amine is sourced from PubChem (CID 23423655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).