2-cyclobutyl-6-methylsulfonylaniline

C11H15NO2S — CID 156805851

IUPAC2-cyclobutyl-6-methylsulfonylaniline
SMILESCS(=O)(=O)c1cccc(C2CCC2)c1N
InChIInChI=1S/C11H15NO2S/c1-15(13,14)10-7-3-6-9(11(10)12)8-4-2-5-8/h3,6-8H,2,4-5,12H2,1H3
InChIKeyVXAVSEHOZSNPFQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.94
Rot. Bonds2

About 2-cyclobutyl-6-methylsulfonylaniline

2-cyclobutyl-6-methylsulfonylaniline (PubChem CID 156805851) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-cyclobutyl-6-methylsulfonylaniline.

Molecular Properties

Compound Name2-cyclobutyl-6-methylsulfonylaniline
PubChem CID156805851
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-cyclobutyl-6-methylsulfonylaniline
SMILESCS(=O)(=O)c1cccc(C2CCC2)c1N
InChIInChI=1S/C11H15NO2S/c1-15(13,14)10-7-3-6-9(11(10)12)8-4-2-5-8/h3,6-8H,2,4-5,12H2,1H3
InChIKeyVXAVSEHOZSNPFQ-UHFFFAOYSA-N
XLogP1.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.94
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 2-cyclobutyl-6-methylsulfonylaniline?
The IUPAC name of 2-cyclobutyl-6-methylsulfonylaniline (CID 156805851) is 2-cyclobutyl-6-methylsulfonylaniline.
What is the SMILES notation for 2-cyclobutyl-6-methylsulfonylaniline?
The canonical SMILES for 2-cyclobutyl-6-methylsulfonylaniline is CS(=O)(=O)c1cccc(C2CCC2)c1N.
What is the InChIKey of 2-cyclobutyl-6-methylsulfonylaniline?
The InChIKey is VXAVSEHOZSNPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15(13,14)10-7-3-6-9(11(10)12)8-4-2-5-8/h3,6-8H,2,4-5,12H2,1H3.
What are the key properties of 2-cyclobutyl-6-methylsulfonylaniline?
2-cyclobutyl-6-methylsulfonylaniline has a molecular weight of 225.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-methylsulfonylaniline is sourced from PubChem (CID 156805851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).