1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

C9H18F3N3O2S — CID 106737872

IUPAC1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNCC(NS(=O)(=O)NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-14-18(16,17)15-8(5-13)7-3-1-2-4-7/h7-8,14-15H,1-6,13H2
InChIKeyOSRCTBKARXMQLV-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.49
Rot. Bonds6

About 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (PubChem CID 106737872) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
PubChem CID106737872
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNCC(NS(=O)(=O)NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H18F3N3O2S/c10-9(11,12)6-14-18(16,17)15-8(5-13)7-3-1-2-4-7/h7-8,14-15H,1-6,13H2
InChIKeyOSRCTBKARXMQLV-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

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Related Compounds

3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125410
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106125994
4-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126247
N-(2-amino-1-cyclopentylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106737843
N-(2-amino-1-cyclopentylethyl)-1,1-difluoromethanesulfonamide
CID 106737846
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclohexan-1-amine
CID 113637328
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803334
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
1-cyclohexyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114803675

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (CID 106737872) is 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is NCC(NS(=O)(=O)NCC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is OSRCTBKARXMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c10-9(11,12)6-14-18(16,17)15-8(5-13)7-3-1-2-4-7/h7-8,14-15H,1-6,13H2.
What are the key properties of 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine 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 1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 106737872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).