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

C10H20F2N2O2S — CID 28940620

IUPACN-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCCCCC1
InChIInChI=1S/C10H20F2N2O2S/c11-9(12)17(15,16)14-10(8-13)6-4-2-1-3-5-7-10/h9,14H,1-8,13H2
InChIKeyXHFMNTXVUDLEHZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.57
Rot. Bonds4

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

N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide (PubChem CID 28940620) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
PubChem CID28940620
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCCCCC1
InChIInChI=1S/C10H20F2N2O2S/c11-9(12)17(15,16)14-10(8-13)6-4-2-1-3-5-7-10/h9,14H,1-8,13H2
InChIKeyXHFMNTXVUDLEHZ-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940750
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317
1-(Difluoromethylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123579
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
CID 61124961
N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
CID 61134006
N-[1-(aminomethyl)cyclooctyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83047749
N-[(1-aminocycloheptyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059572
N-[1-(aminomethyl)cycloheptyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067938

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide (CID 28940620) is N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)F)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide?
The InChIKey is XHFMNTXVUDLEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c11-9(12)17(15,16)14-10(8-13)6-4-2-1-3-5-7-10/h9,14H,1-8,13H2.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).