2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

C10H20F3N3O3S — CID 63827271

IUPAC2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c11-10(12,13)9-19-7-3-15-20(17,18)8-6-16-4-1-14-2-5-16/h14-15H,1-9H2
InChIKeyOLKSLYREEZOVSZ-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.61
Rot. Bonds8

About 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (PubChem CID 63827271) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
PubChem CID63827271
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC Name2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCCOCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c11-10(12,13)9-19-7-3-15-20(17,18)8-6-16-4-1-14-2-5-16/h14-15H,1-9H2
InChIKeyOLKSLYREEZOVSZ-UHFFFAOYSA-N
XLogP-0.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Morpholinoethyl)Trifluoromethanesulfonamide
CID 20513743
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
CID 58855366
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 58855402
1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 58855403
1,1,2,2,3,3,4,4-octafluoro-N-(2-morpholin-4-ylethyl)butane-1-sulfonamide
CID 58855419
3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide
CID 58855437
1,1,2,2,3,3,4,4,6,6-decafluoro-N-(2-morpholin-4-ylethyl)hexane-1-sulfonamide
CID 58855458
1,1,1,3,3,3-hexafluoro-2-methyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
CID 58855483
1,1,2,2,3,3,3-heptafluoro-N-(2-morpholin-4-ylethyl)propane-1-sulfonamide
CID 58855486
1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 58855488
3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
CID 58855505
1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 58855519

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The IUPAC name of 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (CID 63827271) is 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The canonical SMILES for 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is O=S(=O)(CCN1CCNCC1)NCCOCC(F)(F)F.
What is the InChIKey of 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The InChIKey is OLKSLYREEZOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c11-10(12,13)9-19-7-3-15-20(17,18)8-6-16-4-1-14-2-5-16/h14-15H,1-9H2.
What are the key properties of 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide has a molecular weight of 319.35 g/mol, XLogP of -0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 63827271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).