N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide

C14H25F2NO3S — CID 167786583

IUPACN-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)CC1CCCC2(CCC2)O1
InChIInChI=1S/C14H25F2NO3S/c1-2-9-17(10-13(15)16)21(18,19)11-12-5-3-6-14(20-12)7-4-8-14/h12-13H,2-11H2,1H3
InChIKeyCBNGBCZPIUEKRI-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.79
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide

N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide (PubChem CID 167786583) has the molecular formula C14H25F2NO3S and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide
PubChem CID167786583
Molecular FormulaC14H25F2NO3S
Molecular Weight325.42 g/mol
Exact Mass325.15
IUPAC NameN-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)CC1CCCC2(CCC2)O1
InChIInChI=1S/C14H25F2NO3S/c1-2-9-17(10-13(15)16)21(18,19)11-12-5-3-6-14(20-12)7-4-8-14/h12-13H,2-11H2,1H3
InChIKeyCBNGBCZPIUEKRI-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide (CID 167786583) is N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide is CCCN(CC(F)F)S(=O)(=O)CC1CCCC2(CCC2)O1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide?
The InChIKey is CBNGBCZPIUEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3S/c1-2-9-17(10-13(15)16)21(18,19)11-12-5-3-6-14(20-12)7-4-8-14/h12-13H,2-11H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide?
N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide has a molecular weight of 325.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(5-oxaspiro[3.5]nonan-6-yl)-N-propylmethanesulfonamide is sourced from PubChem (CID 167786583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).