N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide

C11H21F3N2O2S — CID 152751032

IUPACN-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1CCCC(CN)(CCNS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-9-3-2-4-10(7-9,8-15)5-6-16-19(17,18)11(12,13)14/h9,16H,2-8,15H2,1H3
InChIKeyBHJVJQCHQOLOSR-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.97
Rot. Bonds5

About N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 152751032) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID152751032
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1CCCC(CN)(CCNS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-9-3-2-4-10(7-9,8-15)5-6-16-19(17,18)11(12,13)14/h9,16H,2-8,15H2,1H3
InChIKeyBHJVJQCHQOLOSR-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide (CID 152751032) is N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide is CC1CCCC(CN)(CCNS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is BHJVJQCHQOLOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-9-3-2-4-10(7-9,8-15)5-6-16-19(17,18)11(12,13)14/h9,16H,2-8,15H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 152751032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).