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

C7H14F3N3O2S — CID 140898063

IUPACN,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c1-12(2)16(14,15)13-4-3-11-5-6(13)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyIRFVOESSXHPNOU-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.37
Rot. Bonds2

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

N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide (PubChem CID 140898063) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
PubChem CID140898063
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC NameN,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c1-12(2)16(14,15)13-4-3-11-5-6(13)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyIRFVOESSXHPNOU-UHFFFAOYSA-N
XLogP-0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(Methylethyl)(piperazinylsulfonyl)amine
CID 28775599
(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
2,5-Dimethylpiperazine sulphonamide
CID 69493011
Methylpiperazinesulfonamide
CID 76056968
4-(1,1,1-Trifluoropropan-2-yl)piperazine-1-sulfonamide
CID 71977823
2-Methyl-5-(trifluoromethyl)piperazine
CID 45790700
1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
CID 58736222
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 71173022
2-Methyl-6-(trifluoromethyl)piperazine
CID 72212639
(2S)-2-methyl-5-(trifluoromethyl)piperazine
CID 89543685
2-(2,2,2-Trifluoroethyl)piperazine-1-sulfonamide
CID 130344791

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide (CID 140898063) is N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCNCC1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide?
The InChIKey is IRFVOESSXHPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c1-12(2)16(14,15)13-4-3-11-5-6(13)7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide?
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 140898063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).