N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide

C11H21F3N2O2S — CID 69425095

IUPACN-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@@H]1CC(CN)(CCNS(=O)(=O)C(F)(F)F)C[C@H]1C
InChIInChI=1S/C11H21F3N2O2S/c1-8-5-10(7-15,6-9(8)2)3-4-16-19(17,18)11(12,13)14/h8-9,16H,3-7,15H2,1-2H3/t8-,9-/m1/s1
InChIKeyVCCMBMLHCPHYBL-RKDXNWHRSA-N
MW302.36 g/mol
LogP1.83
Rot. Bonds5

About N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 69425095) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID69425095
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESC[C@@H]1CC(CN)(CCNS(=O)(=O)C(F)(F)F)C[C@H]1C
InChIInChI=1S/C11H21F3N2O2S/c1-8-5-10(7-15,6-9(8)2)3-4-16-19(17,18)11(12,13)14/h8-9,16H,3-7,15H2,1-2H3/t8-,9-/m1/s1
InChIKeyVCCMBMLHCPHYBL-RKDXNWHRSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide (CID 69425095) is N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide is C[C@@H]1CC(CN)(CCNS(=O)(=O)C(F)(F)F)C[C@H]1C.
What is the InChIKey of N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is VCCMBMLHCPHYBL-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-8-5-10(7-15,6-9(8)2)3-4-16-19(17,18)11(12,13)14/h8-9,16H,3-7,15H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 69425095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).