[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane

C10H20F3N3O2S — CID 114803455

IUPAC[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
SMILESNCCCN(C1CCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16(7-3-6-14)9-4-1-2-5-9/h9,15H,1-8,14H2
InChIKeyFQMGDTMDTHOZCZ-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.98
Rot. Bonds7

About [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane

[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane (PubChem CID 114803455) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane.

Molecular Properties

Compound Name[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
PubChem CID114803455
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
SMILESNCCCN(C1CCCC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16(7-3-6-14)9-4-1-2-5-9/h9,15H,1-8,14H2
InChIKeyFQMGDTMDTHOZCZ-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane?
The IUPAC name of [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane (CID 114803455) is [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane.
What is the SMILES notation for [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane?
The canonical SMILES for [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane is NCCCN(C1CCCC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane?
The InChIKey is FQMGDTMDTHOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c11-10(12,13)8-15-19(17,18)16(7-3-6-14)9-4-1-2-5-9/h9,15H,1-8,14H2.
What are the key properties of [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane?
[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane has a molecular weight of 303.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane is sourced from PubChem (CID 114803455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).