N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide

C8H15F3N2O2S — CID 43598199

IUPACN-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-6-7(12)4-2-1-3-5-7/h13H,1-6,12H2
InChIKeyQTNQBUYMQMZITH-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.09
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide

N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 43598199) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID43598199
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-6-7(12)4-2-1-3-5-7/h13H,1-6,12H2
InChIKeyQTNQBUYMQMZITH-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 90137940
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 14965465
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 43598199) is N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide is NC1(CNS(=O)(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QTNQBUYMQMZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-6-7(12)4-2-1-3-5-7/h13H,1-6,12H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43598199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).