4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C7H14F3N3O2S — CID 114807160

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c1-12-2-4-13(5-3-12)16(14,15)11-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyZMNPQFMRVBRLDK-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.37
Rot. Bonds3

About 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114807160) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114807160
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c1-12-2-4-13(5-3-12)16(14,15)11-6-7(8,9)10/h11H,2-6H2,1H3
InChIKeyZMNPQFMRVBRLDK-UHFFFAOYSA-N
XLogP-0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfonylchloride
CID 121600089
4-(2,2-Difluoroethyl)piperazine-1-sulfonyl chloride
CID 138040366
4-(1,1,1-Trifluoropropan-2-yl)piperazine-1-sulfonamide
CID 71977823
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfinate
CID 89881760
2-[4-(Trifluoromethylsulfonyl)piperazin-1-yl]ethanamine
CID 158227282
4-(3,3,3-Trifluoropropyl)piperazine-1-sulfonamide
CID 168812873
2-[4-(Difluoromethylsulfonyl)piperazin-1-yl]ethanamine
CID 43252218
1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43605167
4-(2,2-difluoroethyl)-N,N-diethylpiperazine-1-sulfonamide
CID 53563285
N-ethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 55010529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114807160) is 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CN1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is ZMNPQFMRVBRLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c1-12-2-4-13(5-3-12)16(14,15)11-6-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114807160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).