2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C₈H₁₆F₃N₃O₂S — CID 114810916

About 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114810916) has the molecular formula C₈H₁₆F₃N₃O₂S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
• PubChem CID: 114810916
• Molecular Formula: C₈H₁₆F₃N₃O₂S
• Molecular Weight: 275.30 g/mol
• Exact Mass: 275.09
• IUPAC Name: 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
• SMILES: CC1(C)CNCCN1S(=O)(=O)NCC(F)(F)F
• InChI: InChI=1S/C8H16F3N3O2S/c1-7(2)5-12-3-4-14(7)17(15,16)13-6-8(9,10)11/h12-13H,3-6H2,1-2H3
• InChIKey: AAICZHTZAWQOHV-UHFFFAOYSA-N
• XLogP: 0.07
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.30
LogP ≤ 5	0.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?

The IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114810916) is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

What is the SMILES notation for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?

The canonical SMILES for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC1(C)CNCCN1S(=O)(=O)NCC(F)(F)F.

What is the InChIKey of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?

The InChIKey is AAICZHTZAWQOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-7(2)5-12-3-4-14(7)17(15,16)13-6-8(9,10)11/h12-13H,3-6H2,1-2H3.

What are the key properties of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?

2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 275.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114810916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114810916 — identifiers, structure, computed properties (public domain)

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