2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide

C₁₄H₂₂N₂O₂S — CID 79861056

About 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide

2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide (PubChem CID 79861056) has the molecular formula C₁₄H₂₂N₂O₂S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
• PubChem CID: 79861056
• Molecular Formula: C₁₄H₂₂N₂O₂S
• Molecular Weight: 282.41 g/mol
• Exact Mass: 282.14
• IUPAC Name: 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NC2CCCC2(C)C)c(N)c1
• InChI: InChI=1S/C14H22N2O2S/c1-10-6-7-12(11(15)9-10)19(17,18)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3
• InChIKey: HFLLZFCTGSPCPU-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.41
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?

The IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide (CID 79861056) is 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide.

What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?

The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC2(C)C)c(N)c1.

What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?

The InChIKey is HFLLZFCTGSPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-6-7-12(11(15)9-10)19(17,18)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8,15H2,1-3H3.

What are the key properties of 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide?

2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 79861056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79861056 — identifiers, structure, computed properties (public domain)

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