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

C9H18F2N2O2S — CID 103970359

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)F)CCCCC1
InChIInChI=1S/C9H18F2N2O2S/c10-8(11)16(14,15)13-7-9(6-12)4-2-1-3-5-9/h8,13H,1-7,12H2
InChIKeyXXZMTXDJDXQNMV-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.04
Rot. Bonds5

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

N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 103970359) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID103970359
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(CNS(=O)(=O)C(F)F)CCCCC1
InChIInChI=1S/C9H18F2N2O2S/c10-8(11)16(14,15)13-7-9(6-12)4-2-1-3-5-9/h8,13H,1-7,12H2
InChIKeyXXZMTXDJDXQNMV-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 9994276
N-[2-[1-(aminomethyl)-3-methylcyclohexyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 152751032
N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103969934
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 103970342
N-[[1-(aminomethyl)cyclohexyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812939
N-[[1-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365845
N-[(2,2-difluoro-3,3-dimethylcyclohexyl)methyl]methanesulfonamide
CID 158994033
N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide
CID 167808002
N-[(1-methylcyclohexyl)methyl]methanesulfonamide
CID 103753779
N-[[1-(aminomethyl)cyclohexyl]methyl]methanesulfonamide
CID 103970343

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide (CID 103970359) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide is NCC1(CNS(=O)(=O)C(F)F)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is XXZMTXDJDXQNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c10-8(11)16(14,15)13-7-9(6-12)4-2-1-3-5-9/h8,13H,1-7,12H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 103970359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).