N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide

C10H16F2N2O2S — CID 61134006

IUPACN-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1(NS(=O)(=O)C(F)F)CCCCCCC1
InChIInChI=1S/C10H16F2N2O2S/c11-9(12)17(15,16)14-10(8-13)6-4-2-1-3-5-7-10/h9,14H,1-7H2
InChIKeyWSXIHHTZLFNSJA-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.14
Rot. Bonds3

About N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide

N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide (PubChem CID 61134006) has the molecular formula C10H16F2N2O2S and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
PubChem CID61134006
Molecular FormulaC10H16F2N2O2S
Molecular Weight266.31 g/mol
Exact Mass266.09
IUPAC NameN-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1(NS(=O)(=O)C(F)F)CCCCCCC1
InChIInChI=1S/C10H16F2N2O2S/c11-9(12)17(15,16)14-10(8-13)6-4-2-1-3-5-7-10/h9,14H,1-7H2
InChIKeyWSXIHHTZLFNSJA-UHFFFAOYSA-N
XLogP2.14
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclooctyl]-1,1-difluoromethanesulfonamide
CID 28940620
N-(1-cyanocyclohexyl)-1,1-difluoromethanesulfonamide
CID 55138337
N-(1-cyanocycloheptyl)-1,1-difluoromethanesulfonamide
CID 55138531
N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61123890
N-(1-cyanocyclooctyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048029
N-(1-cyanocycloheptyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059697
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807746
N-(1-cyanocyclooctyl)methanesulfonamide
CID 61122973
N-(1-cyanocyclooctyl)propane-1-sulfonamide
CID 61122981
N-(1-cyanocyclooctyl)butane-1-sulfonamide
CID 61122985
N-(1-cyanocyclooctyl)ethanesulfonamide
CID 61122987
N-(1-cyanocyclooctyl)propane-2-sulfonamide
CID 61124977

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide (CID 61134006) is N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide is N#CC1(NS(=O)(=O)C(F)F)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide?
The InChIKey is WSXIHHTZLFNSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2S/c11-9(12)17(15,16)14-10(8-13)6-4-2-1-3-5-7-10/h9,14H,1-7H2.
What are the key properties of N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide?
N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide has a molecular weight of 266.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61134006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).