N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C9H18F3N3O2S — CID 114812829

IUPACN-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1CCCC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-8-3-1-2-7(8)4-13/h7-8,14-15H,1-6,13H2
InChIKeyFZSCKOBYDLAXRP-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.35
Rot. Bonds6

About N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114812829) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114812829
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1CCCC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-8-3-1-2-7(8)4-13/h7-8,14-15H,1-6,13H2
InChIKeyFZSCKOBYDLAXRP-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide
CID 23541518
N-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 65926144
N-[[2-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058818
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125410
1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 106737872
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114145477
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803980
2-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 114812823
N-[[2-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812835
1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride
CID 121673197
1,1-Difluoro-2-[(sulfamoylamino)methyl]cyclopentane
CID 130965303

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114812829) is N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCC1CCCC1CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is FZSCKOBYDLAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)6-15-18(16,17)14-5-8-3-1-2-7(8)4-13/h7-8,14-15H,1-6,13H2.
What are the key properties of N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 289.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114812829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).