3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine

C9H17F3N2O2S — CID 114807284

IUPAC3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-8(2)4-3-7(5-8)14-17(15,16)13-6-9(10,11)12/h7,13-14H,3-6H2,1-2H3
InChIKeyJSZPMJMVDGVZEU-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.55
Rot. Bonds4

About 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine

3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine (PubChem CID 114807284) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
PubChem CID114807284
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NS(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-8(2)4-3-7(5-8)14-17(15,16)13-6-9(10,11)12/h7,13-14H,3-6H2,1-2H3
InChIKeyJSZPMJMVDGVZEU-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125410
1-cyclopentyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 106737872
4,4-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113924872
4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 114178222
N-(3,3-dimethylcyclopentyl)-1,1,1-trifluoromethanesulfonamide
CID 114545440
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341
2-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803980
3-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807280
2-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 114812823
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812921
N-(3,3-dimethylcyclopentyl)-1,1-difluoromethanesulfonamide
CID 115881053
3-[(2-Methylpropylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125417

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine (CID 114807284) is 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine is CC1(C)CCC(NS(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine?
The InChIKey is JSZPMJMVDGVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-8(2)4-3-7(5-8)14-17(15,16)13-6-9(10,11)12/h7,13-14H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine?
3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine has a molecular weight of 274.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine is sourced from PubChem (CID 114807284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).