1-cyano-1-(diethylsulfamoylamino)cyclooctane

C13H25N3O2S — CID 61134207

IUPAC1-cyano-1-(diethylsulfamoylamino)cyclooctane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-3-16(4-2)19(17,18)15-13(12-14)10-8-6-5-7-9-11-13/h15H,3-11H2,1-2H3
InChIKeyNBHIOYBEIRWEQU-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.17
Rot. Bonds5

About 1-cyano-1-(diethylsulfamoylamino)cyclooctane

1-cyano-1-(diethylsulfamoylamino)cyclooctane (PubChem CID 61134207) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)cyclooctane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)cyclooctane
PubChem CID61134207
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-cyano-1-(diethylsulfamoylamino)cyclooctane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-3-16(4-2)19(17,18)15-13(12-14)10-8-6-5-7-9-11-13/h15H,3-11H2,1-2H3
InChIKeyNBHIOYBEIRWEQU-UHFFFAOYSA-N
XLogP2.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
CID 28940616
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
1-Cyano-1-(diethylsulfamoylamino)cyclohexane
CID 60713524
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
1-Cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
1-Cyano-1-(diethylsulfamoylamino)cycloheptane
CID 61124695
N-(1-cyanocyclooctyl)-4-methylpiperidine-1-sulfonamide
CID 61133010
N-(1-cyanocyclooctyl)pyrrolidine-1-sulfonamide
CID 61133209
N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide
CID 61133607
N-(1-cyanocyclooctyl)azepane-1-sulfonamide
CID 61134008

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)cyclooctane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)cyclooctane (CID 61134207) is 1-cyano-1-(diethylsulfamoylamino)cyclooctane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)cyclooctane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)cyclooctane is CCN(CC)S(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)cyclooctane?
The InChIKey is NBHIOYBEIRWEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-3-16(4-2)19(17,18)15-13(12-14)10-8-6-5-7-9-11-13/h15H,3-11H2,1-2H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)cyclooctane?
1-cyano-1-(diethylsulfamoylamino)cyclooctane has a molecular weight of 287.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(diethylsulfamoylamino)cyclooctane is sourced from PubChem (CID 61134207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).