N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide

C7H13F3N2O2S — CID 63886823

IUPACN-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6(5-11)3-1-2-4-6/h12H,1-5,11H2
InChIKeySMGBDFSOQWKPQE-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.70
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide

N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 63886823) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID63886823
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6(5-11)3-1-2-4-6/h12H,1-5,11H2
InChIKeySMGBDFSOQWKPQE-UHFFFAOYSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide (CID 63886823) is N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SMGBDFSOQWKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-6(5-11)3-1-2-4-6/h12H,1-5,11H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63886823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).