N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine

C7H13F3N2O2S — CID 114807150

IUPACN-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine
SMILESO=S(=O)(NCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-11-15(13,14)12-6-3-1-2-4-6/h6,11-12H,1-5H2
InChIKeyALNIUBGXYATTCV-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.92
Rot. Bonds4

About N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine

N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine (PubChem CID 114807150) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine
PubChem CID114807150
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine
SMILESO=S(=O)(NCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-11-15(13,14)12-6-3-1-2-4-6/h6,11-12H,1-5H2
InChIKeyALNIUBGXYATTCV-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Sulfamoylamino)cyclopentane
CID 21041393
N-Cyclopentyltrifluoromethanesulfonamide
CID 14076853
N-cyclopentylsulfamoyl fluoride
CID 53658691
N-[(1S,2S)-2-aminocyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 67439421
(3,3-Difluorocyclopentyl)sulfamic acid
CID 146839726
lithium N-(2,2-difluorocyclopentyl)sulfamate
CID 156663484
(2,2-Difluorocyclopentyl)sulfamic acid
CID 156663485
lithium N-(3,3-difluorocyclopentyl)sulfamate
CID 156663501
N-(3,3-difluorocyclopentyl)thiohydroxylamine
CID 169874935
N-(2-aminocyclopentyl)-1,1,1-trifluoromethanesulfonamide
CID 22925241
N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 62732375
N-(2-aminocyclopentyl)-1,1-difluoromethanesulfonamide
CID 63252125

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine (CID 114807150) is N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine is O=S(=O)(NCC(F)(F)F)NC1CCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine?
The InChIKey is ALNIUBGXYATTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)5-11-15(13,14)12-6-3-1-2-4-6/h6,11-12H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine?
N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine has a molecular weight of 246.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfamoyl)cyclopentanamine is sourced from PubChem (CID 114807150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).