[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine

C₁₃H₁₉NO₂S — CID 117032316

About [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine

[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine (PubChem CID 117032316) has the molecular formula C₁₃H₁₉NO₂S and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine.

Molecular Properties

• Compound Name: [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
• PubChem CID: 117032316
• Molecular Formula: C₁₃H₁₉NO₂S
• Molecular Weight: 253.37 g/mol
• Exact Mass: 253.11
• IUPAC Name: [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
• SMILES: CCc1ccc(S(=O)(=O)C2(CN)CCC2)cc1
• InChI: InChI=1S/C13H19NO2S/c1-2-11-4-6-12(7-5-11)17(15,16)13(10-14)8-3-9-13/h4-7H,2-3,8-10,14H2,1H3
• InChIKey: BSKFDHMRKXQBER-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 60.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.37
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?

The IUPAC name of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine (CID 117032316) is [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine.

What is the SMILES notation for [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?

The canonical SMILES for [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine is CCc1ccc(S(=O)(=O)C2(CN)CCC2)cc1.

What is the InChIKey of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?

The InChIKey is BSKFDHMRKXQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11-4-6-12(7-5-11)17(15,16)13(10-14)8-3-9-13/h4-7H,2-3,8-10,14H2,1H3.

What are the key properties of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?

[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine is sourced from PubChem (CID 117032316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117032316 — identifiers, structure, computed properties (public domain)

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