2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide

C₁₄H₂₃N₃O₂S — CID 107116258

About 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide

2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 107116258) has the molecular formula C₁₄H₂₃N₃O₂S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
• PubChem CID: 107116258
• Molecular Formula: C₁₄H₂₃N₃O₂S
• Molecular Weight: 297.42 g/mol
• Exact Mass: 297.15
• IUPAC Name: 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
• SMILES: CN(CC1CCC1)c1cccc(S(=O)(=O)N(C)C)c1N
• InChI: InChI=1S/C14H23N3O2S/c1-16(2)20(18,19)13-9-5-8-12(14(13)15)17(3)10-11-6-4-7-11/h5,8-9,11H,4,6-7,10,15H2,1-3H3
• InChIKey: ZODLLZSDGFFYKJ-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.42
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?

The IUPAC name of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide (CID 107116258) is 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide.

What is the SMILES notation for 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?

The canonical SMILES for 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide is CN(CC1CCC1)c1cccc(S(=O)(=O)N(C)C)c1N.

What is the InChIKey of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?

The InChIKey is ZODLLZSDGFFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16(2)20(18,19)13-9-5-8-12(14(13)15)17(3)10-11-6-4-7-11/h5,8-9,11H,4,6-7,10,15H2,1-3H3.

What are the key properties of 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide?

2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107116258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107116258 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.