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

C8H14F3NO3S — CID 90554866

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H14F3NO3S/c1-16(13,14)12(6-8(9,10)11)7-2-4-15-5-3-7/h7H,2-6H2,1H3
InChIKeyKDKNCOZAVDRDIF-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.99
Rot. Bonds3

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

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 90554866) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID90554866
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H14F3NO3S/c1-16(13,14)12(6-8(9,10)11)7-2-4-15-5-3-7/h7H,2-6H2,1H3
InChIKeyKDKNCOZAVDRDIF-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 90554866) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is KDKNCOZAVDRDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-16(13,14)12(6-8(9,10)11)7-2-4-15-5-3-7/h7H,2-6H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 261.26 g/mol, XLogP of 0.99, 3 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)methanesulfonamide is sourced from PubChem (CID 90554866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).