N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide

C8H14F3N3O3S — CID 62727305

IUPACN,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O3S/c1-12(2)18(16,17)14-5-3-13(4-6-14)7(15)8(9,10)11/h3-6H2,1-2H3
InChIKeyHVSHQPWTHVUHBY-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.50
Rot. Bonds2

About N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide (PubChem CID 62727305) has the molecular formula C8H14F3N3O3S and a molecular weight of 289.28 g/mol. Its IUPAC name is N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
PubChem CID62727305
Molecular FormulaC8H14F3N3O3S
Molecular Weight289.28 g/mol
Exact Mass289.07
IUPAC NameN,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N3O3S/c1-12(2)18(16,17)14-5-3-13(4-6-14)7(15)8(9,10)11/h3-6H2,1-2H3
InChIKeyHVSHQPWTHVUHBY-UHFFFAOYSA-N
XLogP-0.50
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide (CID 62727305) is N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
The InChIKey is HVSHQPWTHVUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3S/c1-12(2)18(16,17)14-5-3-13(4-6-14)7(15)8(9,10)11/h3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide has a molecular weight of 289.28 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62727305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).