N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

C9H18F3N3O2S — CID 114812921

IUPACN-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1(CNS(=O)(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)7-15-18(16,17)14-6-8(5-13)3-1-2-4-8/h14-15H,1-7,13H2
InChIKeyIBEULNVVMHDFQE-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.49
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114812921) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114812921
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESNCC1(CNS(=O)(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)7-15-18(16,17)14-6-8(5-13)3-1-2-4-8/h14-15H,1-7,13H2
InChIKeyIBEULNVVMHDFQE-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(aminomethyl)cyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 21888413
N-[[1-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060159
2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114164159
2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803980
3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807284
2-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 114812823
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812939
N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365845
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]propan-1-amine
CID 114812922
[1-[(Methylsulfamoylamino)methyl]cyclopentyl]methanamine
CID 114812923
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine
CID 114812924
1-(Aminomethyl)-1-[(sulfamoylamino)methyl]cyclopentane
CID 114959631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114812921) is N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is NCC1(CNS(=O)(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is IBEULNVVMHDFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)7-15-18(16,17)14-6-8(5-13)3-1-2-4-8/h14-15H,1-7,13H2.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 289.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114812921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).