3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide

C11H18F6N2O3S — CID 58855505

IUPAC3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)C(F)(F)C(F)F)NCCN1CCOCC1
InChIInChI=1S/C11H18F6N2O3S/c12-9(13)11(16,17)10(14,15)1-8-23(20,21)18-2-3-19-4-6-22-7-5-19/h9,18H,1-8H2
InChIKeyWYMOHUGEKPLWDL-UHFFFAOYSA-N
MW372.33 g/mol
LogP1.16
Rot. Bonds9

About 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide

3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide (PubChem CID 58855505) has the molecular formula C11H18F6N2O3S and a molecular weight of 372.33 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
PubChem CID58855505
Molecular FormulaC11H18F6N2O3S
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)C(F)(F)C(F)F)NCCN1CCOCC1
InChIInChI=1S/C11H18F6N2O3S/c12-9(13)11(16,17)10(14,15)1-8-23(20,21)18-2-3-19-4-6-22-7-5-19/h9,18H,1-8H2
InChIKeyWYMOHUGEKPLWDL-UHFFFAOYSA-N
XLogP1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide (CID 58855505) is 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide is O=S(=O)(CCC(F)(F)C(F)(F)C(F)F)NCCN1CCOCC1.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The InChIKey is WYMOHUGEKPLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O3S/c12-9(13)11(16,17)10(14,15)1-8-23(20,21)18-2-3-19-4-6-22-7-5-19/h9,18H,1-8H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide has a molecular weight of 372.33 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide is sourced from PubChem (CID 58855505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).