N-(1-cyanocyclooctyl)methanesulfonamide

C10H18N2O2S — CID 61122973

IUPACN-(1-cyanocyclooctyl)methanesulfonamide
SMILESCS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)12-10(9-11)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3
InChIKeyKURIUWLJIVYXSC-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.54
Rot. Bonds2

About N-(1-cyanocyclooctyl)methanesulfonamide

N-(1-cyanocyclooctyl)methanesulfonamide (PubChem CID 61122973) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)methanesulfonamide
PubChem CID61122973
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyanocyclooctyl)methanesulfonamide
SMILESCS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)12-10(9-11)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3
InChIKeyKURIUWLJIVYXSC-UHFFFAOYSA-N
XLogP1.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyanocyclooctyl)-1,1-difluoromethanesulfonamide
CID 61134006
N-(1-cyanocyclooctyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048029
N-(5-methylundecan-5-yl)methanesulfonamide
CID 130356050
N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
CID 55014629
N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
CID 61122295
N-(1-cyanocycloheptyl)propane-2-sulfonamide
CID 61122497
N-(1-cyanocyclooctyl)cyclohexanesulfonamide
CID 61122966
N-(1-cyanocyclooctyl)propane-1-sulfonamide
CID 61122981
N-(1-cyanocyclooctyl)butane-1-sulfonamide
CID 61122985
N-(1-cyanocyclooctyl)ethanesulfonamide
CID 61122987
N-(1-cyanocycloheptyl)methanesulfonamide
CID 61123103

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)methanesulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)methanesulfonamide (CID 61122973) is N-(1-cyanocyclooctyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)methanesulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)methanesulfonamide is CS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)methanesulfonamide?
The InChIKey is KURIUWLJIVYXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15(13,14)12-10(9-11)7-5-3-2-4-6-8-10/h12H,2-8H2,1H3.
What are the key properties of N-(1-cyanocyclooctyl)methanesulfonamide?
N-(1-cyanocyclooctyl)methanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)methanesulfonamide is sourced from PubChem (CID 61122973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).