N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H16F3NO3S — CID 90554867

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO3S/c1-2-17(14,15)13(7-9(10,11)12)8-3-5-16-6-4-8/h8H,2-7H2,1H3
InChIKeyLLQLIJKKJGILIE-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.38
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 90554867) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID90554867
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO3S/c1-2-17(14,15)13(7-9(10,11)12)8-3-5-16-6-4-8/h8H,2-7H2,1H3
InChIKeyLLQLIJKKJGILIE-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249
2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266351
N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43602828
N-cyclopentyl-N-ethylethanesulfonamide
CID 61356530
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
N-cyclopropyl-N-(cyclopropylmethyl)ethanesulfonamide
CID 63103163
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785686

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 90554867) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is LLQLIJKKJGILIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-2-17(14,15)13(7-9(10,11)12)8-3-5-16-6-4-8/h8H,2-7H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 90554867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).