N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide

C19H24F6N2O3S — CID 135238485

IUPACN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide
SMILESCN(C1CC2(CCNCC2)OC1C(C(F)(F)F)C(F)(F)F)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H24F6N2O3S/c1-27(31(28,29)12-13-5-3-2-4-6-13)14-11-17(7-9-26-10-8-17)30-15(14)16(18(20,21)22)19(23,24)25/h2-6,14-16,26H,7-12H2,1H3
InChIKeyYNRIDINCNKDKGO-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide

N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide (PubChem CID 135238485) has the molecular formula C19H24F6N2O3S and a molecular weight of 474.47 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide
PubChem CID135238485
Molecular FormulaC19H24F6N2O3S
Molecular Weight474.47 g/mol
Exact Mass474.14
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide
SMILESCN(C1CC2(CCNCC2)OC1C(C(F)(F)F)C(F)(F)F)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H24F6N2O3S/c1-27(31(28,29)12-13-5-3-2-4-6-13)14-11-17(7-9-26-10-8-17)30-15(14)16(18(20,21)22)19(23,24)25/h2-6,14-16,26H,7-12H2,1H3
InChIKeyYNRIDINCNKDKGO-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide 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-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide (CID 135238485) is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide is CN(C1CC2(CCNCC2)OC1C(C(F)(F)F)C(F)(F)F)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is YNRIDINCNKDKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F6N2O3S/c1-27(31(28,29)12-13-5-3-2-4-6-13)14-11-17(7-9-26-10-8-17)30-15(14)16(18(20,21)22)19(23,24)25/h2-6,14-16,26H,7-12H2,1H3.
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide?
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 474.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 135238485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).