N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide

C8H15F3N2O2S — CID 90137940

IUPACN-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC1(N)CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-7(12)4-2-6(3-5-7)13-16(14,15)8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyQSUQEHBFNXFDGD-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.09
Rot. Bonds2

About N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide

N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 90137940) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID90137940
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC1(N)CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O2S/c1-7(12)4-2-6(3-5-7)13-16(14,15)8(9,10)11/h6,13H,2-5,12H2,1H3
InChIKeyQSUQEHBFNXFDGD-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide (CID 90137940) is N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide is CC1(N)CCC(NS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QSUQEHBFNXFDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-7(12)4-2-6(3-5-7)13-16(14,15)8(9,10)11/h6,13H,2-5,12H2,1H3.
What are the key properties of N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide?
N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 90137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).