1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide

C9H15F5N2O3S — CID 58855518

IUPAC1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F5N2O3S/c1-15(2-3-16-4-6-19-7-5-16)20(17,18)9(13,14)8(10,11)12/h2-7H2,1H3
InChIKeyHJXWWJDCKXAIFL-UHFFFAOYSA-N
MW326.29 g/mol
LogP0.74
Rot. Bonds5

About 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide (PubChem CID 58855518) has the molecular formula C9H15F5N2O3S and a molecular weight of 326.29 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide
PubChem CID58855518
Molecular FormulaC9H15F5N2O3S
Molecular Weight326.29 g/mol
Exact Mass326.07
IUPAC Name1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F5N2O3S/c1-15(2-3-16-4-6-19-7-5-16)20(17,18)9(13,14)8(10,11)12/h2-7H2,1H3
InChIKeyHJXWWJDCKXAIFL-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide with MolForge

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Related Compounds

3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 82325840
2-ethyl-2-(2-morpholin-4-ylethylsulfonyl)butanoic acid
CID 82183293
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
2-amino-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83534311
N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
CID 174194198
N,N-diiodo-2-morpholin-4-ylethanamine
CID 129036940
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 110752196

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide (CID 58855518) is 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide is CN(CCN1CCOCC1)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The InChIKey is HJXWWJDCKXAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5N2O3S/c1-15(2-3-16-4-6-19-7-5-16)20(17,18)9(13,14)8(10,11)12/h2-7H2,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide has a molecular weight of 326.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide is sourced from PubChem (CID 58855518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).