N-(1-cyanocyclooctyl)cyclohexanesulfonamide

C15H26N2O2S — CID 61122966

IUPACN-(1-cyanocyclooctyl)cyclohexanesulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCCCC2)CCCCCCC1
InChIInChI=1S/C15H26N2O2S/c16-13-15(11-7-2-1-3-8-12-15)17-20(18,19)14-9-5-4-6-10-14/h14,17H,1-12H2
InChIKeyCLPVKLVJYUXQTB-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.25
Rot. Bonds3

About N-(1-cyanocyclooctyl)cyclohexanesulfonamide

N-(1-cyanocyclooctyl)cyclohexanesulfonamide (PubChem CID 61122966) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)cyclohexanesulfonamide
PubChem CID61122966
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-cyanocyclooctyl)cyclohexanesulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCCCC2)CCCCCCC1
InChIInChI=1S/C15H26N2O2S/c16-13-15(11-7-2-1-3-8-12-15)17-20(18,19)14-9-5-4-6-10-14/h14,17H,1-12H2
InChIKeyCLPVKLVJYUXQTB-UHFFFAOYSA-N
XLogP3.25
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyanocyclooctyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048029
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
N-(1-cyanocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 54947838
N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
CID 55014629
N-(1-cyano-4-methylcyclohexyl)ethanesulfonamide
CID 55138338
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339
N-(1-cyanocycloheptyl)-3-methylbutane-1-sulfonamide
CID 55259191
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-(1-cyanocyclohexyl)propane-2-sulfonamide
CID 61122084
N-(1-cyano-4-methylcyclohexyl)propane-2-sulfonamide
CID 61122090
N-(1-cyanocyclohexyl)cyclohexanesulfonamide
CID 61122476

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)cyclohexanesulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)cyclohexanesulfonamide (CID 61122966) is N-(1-cyanocyclooctyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)cyclohexanesulfonamide is N#CC1(NS(=O)(=O)C2CCCCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)cyclohexanesulfonamide?
The InChIKey is CLPVKLVJYUXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c16-13-15(11-7-2-1-3-8-12-15)17-20(18,19)14-9-5-4-6-10-14/h14,17H,1-12H2.
What are the key properties of N-(1-cyanocyclooctyl)cyclohexanesulfonamide?
N-(1-cyanocyclooctyl)cyclohexanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)cyclohexanesulfonamide is sourced from PubChem (CID 61122966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).