N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

C6H11F3N2O3S — CID 114807156

IUPACN-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)5-10-15(12,13)11-1-3-14-4-2-11/h10H,1-5H2
InChIKeyJYLWJAGHYMUCLG-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.28
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide

N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (PubChem CID 114807156) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
PubChem CID114807156
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC NameN-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)5-10-15(12,13)11-1-3-14-4-2-11/h10H,1-5H2
InChIKeyJYLWJAGHYMUCLG-UHFFFAOYSA-N
XLogP-0.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide (CID 114807156) is N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
The InChIKey is JYLWJAGHYMUCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c7-6(8,9)5-10-15(12,13)11-1-3-14-4-2-11/h10H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide?
N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide has a molecular weight of 248.23 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114807156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).