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

C9H18F3N3O2S — CID 61251788

IUPACN-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H18F3N3O2S/c1-2-5-15(8-9(10,11)12)18(16,17)14-6-3-13-4-7-14/h13H,2-8H2,1H3
InChIKeyROZQWGJCZYQCNF-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.41
Rot. Bonds5

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

N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61251788) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61251788
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H18F3N3O2S/c1-2-5-15(8-9(10,11)12)18(16,17)14-6-3-13-4-7-14/h13H,2-8H2,1H3
InChIKeyROZQWGJCZYQCNF-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61251788) is N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is ROZQWGJCZYQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-2-5-15(8-9(10,11)12)18(16,17)14-6-3-13-4-7-14/h13H,2-8H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61251788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).