N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide

C10H18F2N2O2S — CID 61230578

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)F
InChIInChI=1S/C10H18F2N2O2S/c1-2-14(17(15,16)10(11)12)9-5-7-3-4-8(6-9)13-7/h7-10,13H,2-6H2,1H3
InChIKeyMAURVZIFCROZJT-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.14
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 61230578) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID61230578
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)F
InChIInChI=1S/C10H18F2N2O2S/c1-2-14(17(15,16)10(11)12)9-5-7-3-4-8(6-9)13-7/h7-10,13H,2-6H2,1H3
InChIKeyMAURVZIFCROZJT-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.14
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)-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide (CID 61230578) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide is CCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is MAURVZIFCROZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c1-2-14(17(15,16)10(11)12)9-5-7-3-4-8(6-9)13-7/h7-10,13H,2-6H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 268.33 g/mol, XLogP of 1.14, 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)-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61230578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).