N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide

C8H17F2N3O3S — CID 107493822

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17F2N3O3S/c9-8(10)7-13(2-1-11)17(14,15)12-3-5-16-6-4-12/h8H,1-7,11H2
InChIKeyFKIYSYKGULFRPA-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.91
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide (PubChem CID 107493822) has the molecular formula C8H17F2N3O3S and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
PubChem CID107493822
Molecular FormulaC8H17F2N3O3S
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17F2N3O3S/c9-8(10)7-13(2-1-11)17(14,15)12-3-5-16-6-4-12/h8H,1-7,11H2
InChIKeyFKIYSYKGULFRPA-UHFFFAOYSA-N
XLogP-0.91
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide (CID 107493822) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide is NCCN(CC(F)F)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide?
The InChIKey is FKIYSYKGULFRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O3S/c9-8(10)7-13(2-1-11)17(14,15)12-3-5-16-6-4-12/h8H,1-7,11H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide has a molecular weight of 273.30 g/mol, XLogP of -0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 107493822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).