N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide

C5H9F3N2O2S — CID 43597810

IUPACN-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESNC1CC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4-1-3(9)2-4/h3-4,10H,1-2,9H2
InChIKeyUQOWRESSRTUKAC-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.08
Rot. Bonds2

About N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide

N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 43597810) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID43597810
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC NameN-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESNC1CC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4-1-3(9)2-4/h3-4,10H,1-2,9H2
InChIKeyUQOWRESSRTUKAC-UHFFFAOYSA-N
XLogP-0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide (CID 43597810) is N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide is NC1CC(NS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is UQOWRESSRTUKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-4-1-3(9)2-4/h3-4,10H,1-2,9H2.
What are the key properties of N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide?
N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 218.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43597810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).