N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide

C11H22F2N2O2S — CID 62008815

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C11H22F2N2O2S/c1-3-9-4-6-11(8-14,7-5-9)15(2)18(16,17)10(12)13/h9-10H,3-8,14H2,1-2H3
InChIKeyLBMMSDMYXNGING-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.77
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 62008815) has the molecular formula C11H22F2N2O2S and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID62008815
Molecular FormulaC11H22F2N2O2S
Molecular Weight284.37 g/mol
Exact Mass284.14
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCCC1CCC(CN)(N(C)S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C11H22F2N2O2S/c1-3-9-4-6-11(8-14,7-5-9)15(2)18(16,17)10(12)13/h9-10H,3-8,14H2,1-2H3
InChIKeyLBMMSDMYXNGING-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62007814
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007827
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008219
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008225
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62009005
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009009
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009821
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010018
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010024

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 62008815) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide is CCC1CCC(CN)(N(C)S(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is LBMMSDMYXNGING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2S/c1-3-9-4-6-11(8-14,7-5-9)15(2)18(16,17)10(12)13/h9-10H,3-8,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62008815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).