2-methyl-N-naphthalen-2-ylsulfanylaniline

C17H15NS — CID 20604856

IUPAC2-methyl-N-naphthalen-2-ylsulfanylaniline
SMILESCc1ccccc1NSc1ccc2ccccc2c1
InChIInChI=1S/C17H15NS/c1-13-6-2-5-9-17(13)18-19-16-11-10-14-7-3-4-8-15(14)12-16/h2-12,18H,1H3
InChIKeyTYTPYFOKMIDWSJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.27
Rot. Bonds3

About 2-methyl-N-naphthalen-2-ylsulfanylaniline

2-methyl-N-naphthalen-2-ylsulfanylaniline (PubChem CID 20604856) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-2-ylsulfanylaniline.

Molecular Properties

Compound Name2-methyl-N-naphthalen-2-ylsulfanylaniline
PubChem CID20604856
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name2-methyl-N-naphthalen-2-ylsulfanylaniline
SMILESCc1ccccc1NSc1ccc2ccccc2c1
InChIInChI=1S/C17H15NS/c1-13-6-2-5-9-17(13)18-19-16-11-10-14-7-3-4-8-15(14)12-16/h2-12,18H,1H3
InChIKeyTYTPYFOKMIDWSJ-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-naphthalen-2-ylsulfanylaniline?
The IUPAC name of 2-methyl-N-naphthalen-2-ylsulfanylaniline (CID 20604856) is 2-methyl-N-naphthalen-2-ylsulfanylaniline.
What is the SMILES notation for 2-methyl-N-naphthalen-2-ylsulfanylaniline?
The canonical SMILES for 2-methyl-N-naphthalen-2-ylsulfanylaniline is Cc1ccccc1NSc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-N-naphthalen-2-ylsulfanylaniline?
The InChIKey is TYTPYFOKMIDWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-13-6-2-5-9-17(13)18-19-16-11-10-14-7-3-4-8-15(14)12-16/h2-12,18H,1H3.
What are the key properties of 2-methyl-N-naphthalen-2-ylsulfanylaniline?
2-methyl-N-naphthalen-2-ylsulfanylaniline has a molecular weight of 265.38 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-2-ylsulfanylaniline is sourced from PubChem (CID 20604856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).