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

C9H17F3N2O2S — CID 115308876

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7-4-2-3-5-8(7,6-13)14-17(15,16)9(10,11)12/h7,14H,2-6,13H2,1H3
InChIKeyPEUDSDUKZCXQLF-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.33
Rot. Bonds3

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 115308876) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID115308876
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1CCCCC1(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7-4-2-3-5-8(7,6-13)14-17(15,16)9(10,11)12/h7,14H,2-6,13H2,1H3
InChIKeyPEUDSDUKZCXQLF-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dimethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 177855034
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(2,6-diethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 140430226
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
CID 14965465
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940710
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide (CID 115308876) is N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide is CC1CCCCC1(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PEUDSDUKZCXQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-7-4-2-3-5-8(7,6-13)14-17(15,16)9(10,11)12/h7,14H,2-6,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 115308876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).