2-(cyclobutylmethylsulfinyl)aniline

C11H15NOS — CID 65460222

IUPAC2-(cyclobutylmethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)CC1CCC1
InChIInChI=1S/C11H15NOS/c12-10-6-1-2-7-11(10)14(13)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8,12H2
InChIKeyLOGNUWMIBRUJQM-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.18
Rot. Bonds3

About 2-(cyclobutylmethylsulfinyl)aniline

2-(cyclobutylmethylsulfinyl)aniline (PubChem CID 65460222) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(cyclobutylmethylsulfinyl)aniline.

Molecular Properties

Compound Name2-(cyclobutylmethylsulfinyl)aniline
PubChem CID65460222
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(cyclobutylmethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)CC1CCC1
InChIInChI=1S/C11H15NOS/c12-10-6-1-2-7-11(10)14(13)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8,12H2
InChIKeyLOGNUWMIBRUJQM-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclobutylmethylsulfinyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-2-ylmethylsulfinyl)aniline
CID 61368624
2-[(5,5-dimethyloxolan-2-yl)methylsulfinyl]aniline
CID 116523298
2-(cyclopropylmethylsulfinyl)-4-methylaniline
CID 81183554
2-(cyclopropylmethylsulfinyl)-6-methylaniline
CID 81187064
2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
4-(cyclobutylmethylsulfinyl)-2-methylaniline
CID 81182664
3-chloro-2-(cyclopropylmethylsulfinyl)aniline
CID 81184967
4-(cyclohexylmethylsulfinyl)aniline
CID 61369022
3-chloro-4-(cyclopropylmethylsulfinyl)aniline
CID 81182295
3-bromo-4-(cyclopropylmethylsulfinyl)aniline
CID 82840606
2-methyl-6-(oxan-4-ylmethylsulfinyl)aniline
CID 81186828
2-(2-phenylethylsulfinyl)aniline
CID 61367281

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylsulfinyl)aniline?
The IUPAC name of 2-(cyclobutylmethylsulfinyl)aniline (CID 65460222) is 2-(cyclobutylmethylsulfinyl)aniline.
What is the SMILES notation for 2-(cyclobutylmethylsulfinyl)aniline?
The canonical SMILES for 2-(cyclobutylmethylsulfinyl)aniline is Nc1ccccc1S(=O)CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethylsulfinyl)aniline?
The InChIKey is LOGNUWMIBRUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-10-6-1-2-7-11(10)14(13)8-9-4-3-5-9/h1-2,6-7,9H,3-5,8,12H2.
What are the key properties of 2-(cyclobutylmethylsulfinyl)aniline?
2-(cyclobutylmethylsulfinyl)aniline has a molecular weight of 209.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylsulfinyl)aniline is sourced from PubChem (CID 65460222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).