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

C10H20F2N2O2S — CID 28940750

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H20F2N2O2S/c1-2-8-3-5-10(7-13,6-4-8)14-17(15,16)9(11)12/h8-9,14H,2-7,13H2,1H3
InChIKeyGCJLEGCFDHWYOV-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.43
Rot. Bonds5

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 28940750) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID28940750
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H20F2N2O2S/c1-2-8-3-5-10(7-13,6-4-8)14-17(15,16)9(11)12/h8-9,14H,2-7,13H2,1H3
InChIKeyGCJLEGCFDHWYOV-UHFFFAOYSA-N
XLogP1.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dimethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 177855033
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
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)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-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide (CID 28940750) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide is CCC1CCC(CN)(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is GCJLEGCFDHWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-2-8-3-5-10(7-13,6-4-8)14-17(15,16)9(11)12/h8-9,14H,2-7,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).