1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide

C11H18F6N2O3S — CID 58855423

IUPAC1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6N2O3S/c1-9(10(12,13)14,11(15,16)17)23(20,21)18(2)3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3
InChIKeyCLTYXKHVZVVDBF-UHFFFAOYSA-N
MW372.33 g/mol
LogP1.46
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide

1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide (PubChem CID 58855423) has the molecular formula C11H18F6N2O3S and a molecular weight of 372.33 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
PubChem CID58855423
Molecular FormulaC11H18F6N2O3S
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6N2O3S/c1-9(10(12,13)14,11(15,16)17)23(20,21)18(2)3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3
InChIKeyCLTYXKHVZVVDBF-UHFFFAOYSA-N
XLogP1.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide (CID 58855423) is 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide is CN(CCN1CCOCC1)S(=O)(=O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
The InChIKey is CLTYXKHVZVVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O3S/c1-9(10(12,13)14,11(15,16)17)23(20,21)18(2)3-4-19-5-7-22-8-6-19/h3-8H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide?
1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide has a molecular weight of 372.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)propane-2-sulfonamide is sourced from PubChem (CID 58855423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).