N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide

C9H18F2N2O2S — CID 28940710

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-7-2-4-9(6-12,5-3-7)13-16(14,15)8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyPMMAHSWUWVCRHL-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.04
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 28940710) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID28940710
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-7-2-4-9(6-12,5-3-7)13-16(14,15)8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyPMMAHSWUWVCRHL-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-(1,4-dimethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 177855033
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 90137940
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
N-[[(1S,3S)-2,2-difluoro-3-methylcyclohexyl]methyl]methanesulfonamide
CID 157077652
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
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)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide (CID 28940710) is N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide is CC1CCC(CN)(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is PMMAHSWUWVCRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-7-2-4-9(6-12,5-3-7)13-16(14,15)8(10)11/h7-8,13H,2-6,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).