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

C11H20F2N2O2S — CID 61230768

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)F
InChIInChI=1S/C11H20F2N2O2S/c1-2-5-15(18(16,17)11(12)13)10-6-8-3-4-9(7-10)14-8/h8-11,14H,2-7H2,1H3
InChIKeySWWZYEPBWRVXKB-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.53
Rot. Bonds5

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 61230768) has the molecular formula C11H20F2N2O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID61230768
Molecular FormulaC11H20F2N2O2S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)F
InChIInChI=1S/C11H20F2N2O2S/c1-2-5-15(18(16,17)11(12)13)10-6-8-3-4-9(7-10)14-8/h8-11,14H,2-7H2,1H3
InChIKeySWWZYEPBWRVXKB-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
8-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234616
(1R,5S)-2-fluoro-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 177909597
(2R,3S)-2-fluoro-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 178429972
N-(3-aminopropyl)-N-cycloheptyl-1,1-difluoromethanesulfonamide
CID 43137028
1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 43200307
1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 43200309
1,1-difluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
CID 43523522
N-(Piperidin-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 43602820
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43628954

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide (CID 61230768) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is SWWZYEPBWRVXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2S/c1-2-5-15(18(16,17)11(12)13)10-6-8-3-4-9(7-10)14-8/h8-11,14H,2-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.53, 5 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-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 61230768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).