N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide

C₁₅H₂₂N₂O₂S — CID 105361458

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide (PubChem CID 105361458) has the molecular formula C₁₅H₂₂N₂O₂S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide.

Molecular Properties

• Compound Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
• PubChem CID: 105361458
• Molecular Formula: C₁₅H₂₂N₂O₂S
• Molecular Weight: 294.42 g/mol
• Exact Mass: 294.14
• IUPAC Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
• SMILES: Nc1ccc2c(c1)CCCC2NS(=O)(=O)C1CCCC1
• InChI: InChI=1S/C15H22N2O2S/c16-12-8-9-14-11(10-12)4-3-7-15(14)17-20(18,19)13-5-1-2-6-13/h8-10,13,15,17H,1-7,16H2
• InChIKey: JZTOJUPTOKVVKY-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.42
LogP ≤ 5	2.51
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 N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide?

The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide (CID 105361458) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide.

What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide?

The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide is Nc1ccc2c(c1)CCCC2NS(=O)(=O)C1CCCC1.

What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide?

The InChIKey is JZTOJUPTOKVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-12-8-9-14-11(10-12)4-3-7-15(14)17-20(18,19)13-5-1-2-6-13/h8-10,13,15,17H,1-7,16H2.

What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide?

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide is sourced from PubChem (CID 105361458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105361458 — identifiers, structure, computed properties (public domain)

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