4-methylsulfinylnaphthalen-1-amine

C11H11NOS — CID 130018058

IUPAC4-methylsulfinylnaphthalen-1-amine
SMILESCS(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C11H11NOS/c1-14(13)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
InChIKeyLZUBOEGVTYWHBM-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.16
Rot. Bonds1

About 4-methylsulfinylnaphthalen-1-amine

4-methylsulfinylnaphthalen-1-amine (PubChem CID 130018058) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-methylsulfinylnaphthalen-1-amine.

Molecular Properties

Compound Name4-methylsulfinylnaphthalen-1-amine
PubChem CID130018058
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-methylsulfinylnaphthalen-1-amine
SMILESCS(=O)c1ccc(N)c2ccccc12
InChIInChI=1S/C11H11NOS/c1-14(13)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
InChIKeyLZUBOEGVTYWHBM-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinylnaphthalen-1-amine?
The IUPAC name of 4-methylsulfinylnaphthalen-1-amine (CID 130018058) is 4-methylsulfinylnaphthalen-1-amine.
What is the SMILES notation for 4-methylsulfinylnaphthalen-1-amine?
The canonical SMILES for 4-methylsulfinylnaphthalen-1-amine is CS(=O)c1ccc(N)c2ccccc12.
What is the InChIKey of 4-methylsulfinylnaphthalen-1-amine?
The InChIKey is LZUBOEGVTYWHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-14(13)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3.
What are the key properties of 4-methylsulfinylnaphthalen-1-amine?
4-methylsulfinylnaphthalen-1-amine has a molecular weight of 205.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinylnaphthalen-1-amine is sourced from PubChem (CID 130018058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).