N-(1-cyanocyclooctyl)oxane-4-sulfonamide

C14H24N2O3S — CID 62048799

IUPACN-(1-cyanocyclooctyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCCCCC1
InChIInChI=1S/C14H24N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)13-6-10-19-11-7-13/h13,16H,1-11H2
InChIKeyFRLDMKBDCCJVAN-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.09
Rot. Bonds3

About N-(1-cyanocyclooctyl)oxane-4-sulfonamide

N-(1-cyanocyclooctyl)oxane-4-sulfonamide (PubChem CID 62048799) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)oxane-4-sulfonamide
PubChem CID62048799
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(1-cyanocyclooctyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCCCCC1
InChIInChI=1S/C14H24N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)13-6-10-19-11-7-13/h13,16H,1-11H2
InChIKeyFRLDMKBDCCJVAN-UHFFFAOYSA-N
XLogP2.09
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
CID 55014629
N-(1-cyanocyclopentyl)oxane-4-sulfonamide
CID 55031204
1-(Oxan-4-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 62047900
N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
CID 62048059
N-(1-cyanocyclohexyl)oxane-4-sulfonamide
CID 62048264
N-(1-cyano-4-ethylcyclohexyl)oxane-4-sulfonamide
CID 62048441
N-(1-cyanocycloheptyl)oxane-4-sulfonamide
CID 62048442
N-(1-cyanocyclohexyl)-2-ethoxyethanesulfonamide
CID 63245970
N-(1-cyanocycloheptyl)-2-ethoxyethanesulfonamide
CID 63246018
N-(1-cyanocyclooctyl)-2-ethoxyethanesulfonamide
CID 63246109
N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247605
N-(1-cyanocyclooctyl)-3-methoxypropane-1-sulfonamide
CID 63289862

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)oxane-4-sulfonamide (CID 62048799) is N-(1-cyanocyclooctyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)oxane-4-sulfonamide is N#CC1(NS(=O)(=O)C2CCOCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)oxane-4-sulfonamide?
The InChIKey is FRLDMKBDCCJVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)13-6-10-19-11-7-13/h13,16H,1-11H2.
What are the key properties of N-(1-cyanocyclooctyl)oxane-4-sulfonamide?
N-(1-cyanocyclooctyl)oxane-4-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).