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

C7H14F3N3O2S — CID 60891761

IUPACN-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H14F3N3O2S/c1-12(6-7(8,9)10)16(14,15)13-4-2-11-3-5-13/h11H,2-6H2,1H3
InChIKeyDXZWIQASSMKSOS-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.37
Rot. Bonds3

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

N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 60891761) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID60891761
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H14F3N3O2S/c1-12(6-7(8,9)10)16(14,15)13-4-2-11-3-5-13/h11H,2-6H2,1H3
InChIKeyDXZWIQASSMKSOS-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

N,N-dimethylpiperazine-1-sulfonamide
CID 1094966
1-Piperazinesulfonamide
CID 11252198
1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
Piperazinium trifluoromethanesulfonate
CID 129746813
(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
1-Difluoromethanesulfonylpiperazine hydrochloride
CID 154747321
N-methylpiperazine-1-sulfonamide
CID 28775620
Piperazinium sulfamate
CID 126613900
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-Difluoromethanesulfonylpiperazine
CID 28606469
N-ethylpiperazine-1-sulfonamide
CID 28775624
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 60891761) is N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is DXZWIQASSMKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c1-12(6-7(8,9)10)16(14,15)13-4-2-11-3-5-13/h11H,2-6H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-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 N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 60891761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).