3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C8H16F3N3O2S — CID 114807620

IUPAC3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC1(C)CN(S(=O)(=O)NCC(F)(F)F)CCN1
InChIInChI=1S/C8H16F3N3O2S/c1-7(2)6-14(4-3-12-7)17(15,16)13-5-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyZBNCMFPBLZEGJN-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.07
Rot. Bonds3

About 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114807620) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114807620
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC1(C)CN(S(=O)(=O)NCC(F)(F)F)CCN1
InChIInChI=1S/C8H16F3N3O2S/c1-7(2)6-14(4-3-12-7)17(15,16)13-5-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyZBNCMFPBLZEGJN-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-N-[2-(propylamino)ethyl]piperidine-1-sulfonamide
CID 117855268
3-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519451
2-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519460
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
2,2-Dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 168813128
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
2,2,3-Tris(fluoromethyl)piperazine-1-sulfonamide
CID 175866221
N-ethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 55010529
N-cyclopropyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 55010578
N-butyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251787
N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251788
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252733

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114807620) is 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC1(C)CN(S(=O)(=O)NCC(F)(F)F)CCN1.
What is the InChIKey of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is ZBNCMFPBLZEGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-7(2)6-14(4-3-12-7)17(15,16)13-5-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
3,3-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 3,3-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114807620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).