N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide

C8H16F2N2O2S — CID 28940488

IUPACN-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCCC1
InChIInChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-8(6-11)4-2-1-3-5-8/h7,12H,1-6,11H2
InChIKeyYULXKQBCCBMUOO-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.79
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 28940488) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID28940488
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCCC1
InChIInChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-8(6-11)4-2-1-3-5-8/h7,12H,1-6,11H2
InChIKeyYULXKQBCCBMUOO-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.79
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-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
N-(4-amino-4-methylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 90137940
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
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-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide (CID 28940488) is N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)F)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is YULXKQBCCBMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-8(6-11)4-2-1-3-5-8/h7,12H,1-6,11H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).