1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide

C5H11F3N2O2S — CID 123946453

IUPAC1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
SMILESCNCCNS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C5H11F3N2O2S/c1-9-2-3-10-13(11,12)5(7,8)4-6/h9-10H,2-4H2,1H3
InChIKeyGAAWRTYAULGUSJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.31
Rot. Bonds6

About 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide

1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide (PubChem CID 123946453) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
PubChem CID123946453
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
SMILESCNCCNS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C5H11F3N2O2S/c1-9-2-3-10-13(11,12)5(7,8)4-6/h9-10H,2-4H2,1H3
InChIKeyGAAWRTYAULGUSJ-UHFFFAOYSA-N
XLogP-0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 62657412
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CID 62658738
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CID 62665151
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CID 86649493
CID 86649493
CID 88541320
CID 88541320
CID 123385688
CID 123385688
CID 123513868
CID 123513868
CID 142020487
CID 142020487
CID 144300298
CID 144300298
CID 148928042
CID 148928042
CID 153607529
CID 153607529
CID 156741697
CID 156741697

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
The IUPAC name of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide (CID 123946453) is 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
The canonical SMILES for 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide is CNCCNS(=O)(=O)C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
The InChIKey is GAAWRTYAULGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-9-2-3-10-13(11,12)5(7,8)4-6/h9-10H,2-4H2,1H3.
What are the key properties of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 123946453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).