N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide

C8H16F3N3O3S — CID 63829021

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)7-17-6-3-13-18(15,16)14-4-1-12-2-5-14/h12-13H,1-7H2
InChIKeyAXICZYSNWOYEJM-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.70
Rot. Bonds6

About N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide (PubChem CID 63829021) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide
PubChem CID63829021
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCOCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)7-17-6-3-13-18(15,16)14-4-1-12-2-5-14/h12-13H,1-7H2
InChIKeyAXICZYSNWOYEJM-UHFFFAOYSA-N
XLogP-0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,2-Difluoroethyl)[2-(morpholin-4-yl)ethyl]amine
CID 50896662
2-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54962006
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252542
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61254390
2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
CID 63827271
2-morpholin-4-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803625
1-[2-(2,2-Difluoroethoxy)ethyl]piperazine
CID 82004068
2,2,2-trifluoro-N-(morpholin-3-ylmethylsulfamoyl)ethanamine
CID 103548956
N-[2-(2,2-difluoroethoxy)ethyl]-2-morpholin-4-ylethanamine
CID 105911000
N-[2-(2,2-difluoroethoxy)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 105917744
N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
CID 107493822
2-[2-Aminoethyl(2-methoxyethylsulfamoyl)amino]-1,1-difluoroethane
CID 107493828

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide (CID 63829021) is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide is O=S(=O)(NCCOCC(F)(F)F)N1CCNCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide?
The InChIKey is AXICZYSNWOYEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c9-8(10,11)7-17-6-3-13-18(15,16)14-4-1-12-2-5-14/h12-13H,1-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide has a molecular weight of 291.30 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 63829021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).