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

C8H16F2N2O2S — CID 43598224

IUPACN-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)F)CCCCC1
InChIInChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-6-8(11)4-2-1-3-5-8/h7,12H,1-6,11H2
InChIKeyJQAUOHDLAJMXDJ-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.79
Rot. Bonds4

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

N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 43598224) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID43598224
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1(CNS(=O)(=O)C(F)F)CCCCC1
InChIInChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-6-8(11)4-2-1-3-5-8/h7,12H,1-6,11H2
InChIKeyJQAUOHDLAJMXDJ-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)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide (CID 43598224) is N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide is NC1(CNS(=O)(=O)C(F)F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is JQAUOHDLAJMXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c9-7(10)15(13,14)12-6-8(11)4-2-1-3-5-8/h7,12H,1-6,11H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(1-aminocyclohexyl)methyl]-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-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43598224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).