1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane

C11H22F3N3O2S — CID 114803834

IUPAC1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O2S/c1-17(20(18,19)16-9-11(12,13)14)10(8-15)6-4-2-3-5-7-10/h16H,2-9,15H2,1H3
InChIKeyYTJKOTJMFNKWSC-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.37
Rot. Bonds5

About 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane

1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane (PubChem CID 114803834) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
PubChem CID114803834
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H22F3N3O2S/c1-17(20(18,19)16-9-11(12,13)14)10(8-15)6-4-2-3-5-7-10/h16H,2-9,15H2,1H3
InChIKeyYTJKOTJMFNKWSC-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008225
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010024
N-[1-(aminomethyl)cycloheptyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83048545
1-(Aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
CID 113636435
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
CID 114803358
1-(Aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803766
1-(Aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803771
1-(Aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803776
1-(Aminomethyl)-3-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803800
1-(Aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803817
1-(Aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803840

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
The IUPAC name of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane (CID 114803834) is 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane.
What is the SMILES notation for 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
The canonical SMILES for 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane is CN(C1(CN)CCCCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
The InChIKey is YTJKOTJMFNKWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-17(20(18,19)16-9-11(12,13)14)10(8-15)6-4-2-3-5-7-10/h16H,2-9,15H2,1H3.
What are the key properties of 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane has a molecular weight of 317.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane is sourced from PubChem (CID 114803834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).