N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide

C11H19F3N2O2S — CID 61232107

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2S/c1-2-5-16(19(17,18)11(12,13)14)10-6-8-3-4-9(7-10)15-8/h8-10,15H,2-7H2,1H3
InChIKeyFYCUHUYNMWQQKG-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.83
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide (PubChem CID 61232107) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide
PubChem CID61232107
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2S/c1-2-5-16(19(17,18)11(12,13)14)10-6-8-3-4-9(7-10)15-8/h8-10,15H,2-7H2,1H3
InChIKeyFYCUHUYNMWQQKG-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide (CID 61232107) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide is CCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide?
The InChIKey is FYCUHUYNMWQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c1-2-5-16(19(17,18)11(12,13)14)10-6-8-3-4-9(7-10)15-8/h8-10,15H,2-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide has a molecular weight of 300.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 61232107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).