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

C12H24F3N3O2S — CID 114803840

IUPAC1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C12H24F3N3O2S/c1-2-18(21(19,20)17-10-12(13,14)15)11(9-16)7-5-3-4-6-8-11/h17H,2-10,16H2,1H3
InChIKeyYHSLGVRNXJRMNN-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.76
Rot. Bonds6

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

1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane (PubChem CID 114803840) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
PubChem CID114803840
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Name1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C12H24F3N3O2S/c1-2-18(21(19,20)17-10-12(13,14)15)11(9-16)7-5-3-4-6-8-11/h17H,2-10,16H2,1H3
InChIKeyYHSLGVRNXJRMNN-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
CID 60890222
1-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
CID 61603637
1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
CID 61605927
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine
CID 62007735
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine
CID 62008131
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008225
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine
CID 62009117
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010024
1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64552919
1-(aminomethyl)-N-ethyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553127
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
The IUPAC name of 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane (CID 114803840) is 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane.
What is the SMILES notation for 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
The canonical SMILES for 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane is CCN(C1(CN)CCCCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
The InChIKey is YHSLGVRNXJRMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-2-18(21(19,20)17-10-12(13,14)15)11(9-16)7-5-3-4-6-8-11/h17H,2-10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane?
1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane has a molecular weight of 331.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane is sourced from PubChem (CID 114803840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).