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

C6H12F3N3O2S — CID 114812998

IUPAC1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-5(3-10)1-2-5/h11-12H,1-4,10H2
InChIKeyCQXYZFKGAPUABU-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.54
Rot. Bonds5

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

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine (PubChem CID 114812998) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine
PubChem CID114812998
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC Name1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine
SMILESNCC1(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-5(3-10)1-2-5/h11-12H,1-4,10H2
InChIKeyCQXYZFKGAPUABU-UHFFFAOYSA-N
XLogP-0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114811374
1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
CID 114816801
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
CID 114803859
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119980966
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine
CID 114807420
2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807656
N-(2,2,2-trifluoroethylsulfamoyl)prop-2-yn-1-amine
CID 114812561

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine (CID 114812998) is 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine is NCC1(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine?
The InChIKey is CQXYZFKGAPUABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-5(3-10)1-2-5/h11-12H,1-4,10H2.
What are the key properties of 1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine?
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopropan-1-amine has a molecular weight of 247.24 g/mol, XLogP of -0.54, 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)cyclopropan-1-amine is sourced from PubChem (CID 114812998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).