1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

C12H24F3N3O2S — CID 114803776

IUPAC1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCCCN(C1(CN)CCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C12H24F3N3O2S/c1-2-8-18(11(9-16)6-4-3-5-7-11)21(19,20)17-10-12(13,14)15/h17H,2-10,16H2,1H3
InChIKeyNUMFERJUOLYRLV-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.76
Rot. Bonds7

About 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane

1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (PubChem CID 114803776) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
PubChem CID114803776
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Name1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane
SMILESCCCN(C1(CN)CCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C12H24F3N3O2S/c1-2-8-18(11(9-16)6-4-3-5-7-11)21(19,20)17-10-12(13,14)15/h17H,2-10,16H2,1H3
InChIKeyNUMFERJUOLYRLV-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
CID 134567032
1,1-Difluoro-4-[[propan-2-yl(sulfamoyl)amino]methyl]cyclohexane
CID 167049000
1-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 60892906
1-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61603572
1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 61605822
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine
CID 62004684
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcyclohexan-1-amine
CID 62006001
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcyclohexan-1-amine
CID 62006376
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)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62009005
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009009

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The IUPAC name of 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane (CID 114803776) is 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane.
What is the SMILES notation for 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The canonical SMILES for 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is CCCN(C1(CN)CCCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
The InChIKey is NUMFERJUOLYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-2-8-18(11(9-16)6-4-3-5-7-11)21(19,20)17-10-12(13,14)15/h17H,2-10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane?
1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane has a molecular weight of 331.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclohexane is sourced from PubChem (CID 114803776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).