N-(1-cyanocyclooctyl)butane-1-sulfonamide

C13H24N2O2S — CID 61122985

IUPACN-(1-cyanocyclooctyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H24N2O2S/c1-2-3-11-18(16,17)15-13(12-14)9-7-5-4-6-8-10-13/h15H,2-11H2,1H3
InChIKeyMFNGBGDQDQAVIC-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.71
Rot. Bonds5

About N-(1-cyanocyclooctyl)butane-1-sulfonamide

N-(1-cyanocyclooctyl)butane-1-sulfonamide (PubChem CID 61122985) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)butane-1-sulfonamide
PubChem CID61122985
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(1-cyanocyclooctyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H24N2O2S/c1-2-3-11-18(16,17)15-13(12-14)9-7-5-4-6-8-10-13/h15H,2-11H2,1H3
InChIKeyMFNGBGDQDQAVIC-UHFFFAOYSA-N
XLogP2.71
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.71
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)-1,1-difluoromethanesulfonamide
CID 61134006
N-(1-cyanocyclooctyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048029
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
N-[(2S,5R)-2-cyano-5-methylheptan-2-yl]-2-methylpropane-1-sulfinamide
CID 87653070
N-(2-cyano-5-methylheptan-2-yl)-2-methylpropane-1-sulfinamide
CID 90799655
N-[1-(aminomethyl)cyclooctyl]ethanesulfonamide
CID 28940632
N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide
CID 28940634
N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide
CID 28940638
N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
CID 55014629
N-(1-cyanocyclopentyl)butane-1-sulfonamide
CID 55138336
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)butane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)butane-1-sulfonamide (CID 61122985) is N-(1-cyanocyclooctyl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)butane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)butane-1-sulfonamide?
The InChIKey is MFNGBGDQDQAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-3-11-18(16,17)15-13(12-14)9-7-5-4-6-8-10-13/h15H,2-11H2,1H3.
What are the key properties of N-(1-cyanocyclooctyl)butane-1-sulfonamide?
N-(1-cyanocyclooctyl)butane-1-sulfonamide has a molecular weight of 272.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)butane-1-sulfonamide is sourced from PubChem (CID 61122985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).