N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

C₁₀H₂₁F₃N₂O₂S — CID 114149070

About N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114149070) has the molecular formula C₁₀H₂₁F₃N₂O₂S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

• Compound Name: N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
• PubChem CID: 114149070
• Molecular Formula: C₁₀H₂₁F₃N₂O₂S
• Molecular Weight: 290.35 g/mol
• Exact Mass: 290.13
• IUPAC Name: N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
• SMILES: CC(C)(CCN)CNS(=O)(=O)CCCC(F)(F)F
• InChI: InChI=1S/C10H21F3N2O2S/c1-9(2,5-6-14)8-15-18(16,17)7-3-4-10(11,12)13/h15H,3-8,14H2,1-2H3
• InChIKey: PAKXSDMXOPAVQY-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.35
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?

The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 114149070) is N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.

What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?

The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)(CCN)CNS(=O)(=O)CCCC(F)(F)F.

What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?

The InChIKey is PAKXSDMXOPAVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-9(2,5-6-14)8-15-18(16,17)7-3-4-10(11,12)13/h15H,3-8,14H2,1-2H3.

What are the key properties of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?

N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114149070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114149070 — identifiers, structure, computed properties (public domain)

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