1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile

C13H25N3O2S — CID 114807745

IUPAC1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCC(C)(C)NS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-12(2,3)15-19(17,18)16-13(11-14)9-7-5-4-6-8-10-13/h15-16H,4-10H2,1-3H3
InChIKeyWDUFFNSXVLXFQN-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.22
Rot. Bonds3

About 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile

1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114807745) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114807745
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCC(C)(C)NS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C13H25N3O2S/c1-12(2,3)15-19(17,18)16-13(11-14)9-7-5-4-6-8-10-13/h15-16H,4-10H2,1-3H3
InChIKeyWDUFFNSXVLXFQN-UHFFFAOYSA-N
XLogP2.22
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Aminocyclooctane-1-carbonitrile;ethane;molecular hydrogen
CID 142227527
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyanocyclooctyl)methanesulfonamide
CID 61122973
N-(1-cyanocyclooctyl)propane-1-sulfonamide
CID 61122981
N-(1-cyanocyclooctyl)butane-1-sulfonamide
CID 61122985
N-(1-cyanocyclooctyl)ethanesulfonamide
CID 61122987
N-(1-cyanocyclooctyl)propane-2-sulfonamide
CID 61124977
1-Cyano-1-(diethylsulfamoylamino)cyclooctane
CID 61134207
1-Cyano-1-(dimethylsulfamoylamino)cyclooctane
CID 61134606
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclooctane
CID 61453860
N-(1-cyanocyclooctyl)-2-methylpropane-2-sulfonamide
CID 63689899
1-cyano-N-(1-cyanocyclooctyl)ethanesulfonamide
CID 65570584

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114807745) is 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile is CC(C)(C)NS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is WDUFFNSXVLXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12(2,3)15-19(17,18)16-13(11-14)9-7-5-4-6-8-10-13/h15-16H,4-10H2,1-3H3.
What are the key properties of 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 287.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114807745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).