1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine

C10H20F3N3O2S — CID 114803358

IUPAC1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16-9(7-14)5-3-1-2-4-6-9/h15-16H,1-8,14H2
InChIKeyADHYNZVJTZLMAQ-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.02
Rot. Bonds5

About 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine (PubChem CID 114803358) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
PubChem CID114803358
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16-9(7-14)5-3-1-2-4-6-9/h15-16H,1-8,14H2
InChIKeyADHYNZVJTZLMAQ-UHFFFAOYSA-N
XLogP1.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317
N-[(1-aminocycloheptyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059572
N-[1-(aminomethyl)cycloheptyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067938
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)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
CID 114803352
1-(Aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803834
1-(Aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803840
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carbonitrile
CID 114807710

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine (CID 114803358) is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine is NCC1(NS(=O)(=O)NCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine?
The InChIKey is ADHYNZVJTZLMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16-9(7-14)5-3-1-2-4-6-9/h15-16H,1-8,14H2.
What are the key properties of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine?
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine has a molecular weight of 303.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine is sourced from PubChem (CID 114803358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).