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

C7H14F3N3O2S — CID 114813012

IUPAC1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)5-12-16(14,15)13-6(4-11)2-1-3-6/h12-13H,1-5,11H2
InChIKeyUWHYPDXKTSWUBN-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.15
Rot. Bonds5

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

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine (PubChem CID 114813012) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine
PubChem CID114813012
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)5-12-16(14,15)13-6(4-11)2-1-3-6/h12-13H,1-5,11H2
InChIKeyUWHYPDXKTSWUBN-UHFFFAOYSA-N
XLogP-0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352839
N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
CID 103352857
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803693
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-amine
CID 114812875
N-[1-(aminomethyl)cyclobutyl]-1,1-difluoromethanesulfonamide
CID 116367075
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-amine;hydrochloride
CID 121673067
1-(Sulfamoylamino)-3-(trifluoromethyl)cyclobutane
CID 128389050
1,1-Difluoro-3-[(sulfamoylamino)methyl]cyclobutane
CID 128487309
1-[(Methylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352864
1-Amino-1-[(sulfamoylamino)methyl]cyclobutane
CID 103352904
1-[(Ethylsulfamoylamino)methyl]cyclobutan-1-amine
CID 104438050
1-(aminomethyl)-N-(methylsulfamoyl)cyclobutan-1-amine
CID 114813014

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine (CID 114813012) is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine is NCC1(NS(=O)(=O)NCC(F)(F)F)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine?
The InChIKey is UWHYPDXKTSWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)5-12-16(14,15)13-6(4-11)2-1-3-6/h12-13H,1-5,11H2.
What are the key properties of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine?
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclobutan-1-amine has a molecular weight of 261.27 g/mol, XLogP of -0.15, 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)cyclobutan-1-amine is sourced from PubChem (CID 114813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).