1-cyano-1-(dimethylsulfamoylamino)cyclooctane

C11H21N3O2S — CID 61134606

IUPAC1-cyano-1-(dimethylsulfamoylamino)cyclooctane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-14(2)17(15,16)13-11(10-12)8-6-4-3-5-7-9-11/h13H,3-9H2,1-2H3
InChIKeyCVXFKIKMIYZNTK-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.39
Rot. Bonds3

About 1-cyano-1-(dimethylsulfamoylamino)cyclooctane

1-cyano-1-(dimethylsulfamoylamino)cyclooctane (PubChem CID 61134606) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)cyclooctane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)cyclooctane
PubChem CID61134606
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)cyclooctane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-14(2)17(15,16)13-11(10-12)8-6-4-3-5-7-9-11/h13H,3-9H2,1-2H3
InChIKeyCVXFKIKMIYZNTK-UHFFFAOYSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Dimethylsulfamoylamino)-5-methyldodecane
CID 130356012
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyanocyclooctyl)methanesulfonamide
CID 61122973
1-Cyano-1-(dimethylsulfamoylamino)cyclohexane
CID 61123479
1-Cyano-1-(dimethylsulfamoylamino)-4-ethylcyclohexane
CID 61124292
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-(dimethylsulfamoylamino)cyclooctane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)cyclooctane (CID 61134606) is 1-cyano-1-(dimethylsulfamoylamino)cyclooctane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)cyclooctane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)cyclooctane is CN(C)S(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)cyclooctane?
The InChIKey is CVXFKIKMIYZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-14(2)17(15,16)13-11(10-12)8-6-4-3-5-7-9-11/h13H,3-9H2,1-2H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)cyclooctane?
1-cyano-1-(dimethylsulfamoylamino)cyclooctane has a molecular weight of 259.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(dimethylsulfamoylamino)cyclooctane is sourced from PubChem (CID 61134606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).