1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine

C11H22F3N3O2S — CID 114803369

IUPAC1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O2S/c1-2-9-3-5-10(7-15,6-4-9)17-20(18,19)16-8-11(12,13)14/h9,16-17H,2-8,15H2,1H3
InChIKeyDHJZAIOMOBDVMF-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.27
Rot. Bonds6

About 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine (PubChem CID 114803369) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
PubChem CID114803369
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC Name1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H22F3N3O2S/c1-2-9-3-5-10(7-15,6-4-9)17-20(18,19)16-8-11(12,13)14/h9,16-17H,2-8,15H2,1H3
InChIKeyDHJZAIOMOBDVMF-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
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)-4-ethylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047750
4-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126247
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803364
1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114803675
1-(Aminomethyl)-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803783
1-(Aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-4-methylcyclohexane
CID 114803789
1-(Aminomethyl)-4-ethyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
CID 114803817
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807700

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine (CID 114803369) is 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine is CCC1CCC(CN)(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
The InChIKey is DHJZAIOMOBDVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-2-9-3-5-10(7-15,6-4-9)17-20(18,19)16-8-11(12,13)14/h9,16-17H,2-8,15H2,1H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine has a molecular weight of 317.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 114803369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).