1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile

C11H21N3O2S — CID 114807748

IUPAC1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCCNS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-2-13-17(15,16)14-11(10-12)8-6-4-3-5-7-9-11/h13-14H,2-9H2,1H3
InChIKeyOMYCJICOPVGFGS-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.44
Rot. Bonds4

About 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile

1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile (PubChem CID 114807748) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile
PubChem CID114807748
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile
SMILESCCNS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-2-13-17(15,16)14-11(10-12)8-6-4-3-5-7-9-11/h13-14H,2-9H2,1H3
InChIKeyOMYCJICOPVGFGS-UHFFFAOYSA-N
XLogP1.44
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807746
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
1-(Aminomethyl)-1-(sulfamoylamino)cyclooctane
CID 28940624
N-(1-cyanocyclooctyl)methanesulfonamide
CID 61122973
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
1-(aminomethyl)-N-(ethylsulfamoyl)cyclooctan-1-amine
CID 113636368
4-Ethyl-1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637019
1-(Tert-butylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637021
1-(Propan-2-ylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637023
2-(Tert-butylsulfamoylamino)-2-cyclohexylacetonitrile
CID 113637024

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile?
The IUPAC name of 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile (CID 114807748) is 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile?
The canonical SMILES for 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile is CCNS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile?
The InChIKey is OMYCJICOPVGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-2-13-17(15,16)14-11(10-12)8-6-4-3-5-7-9-11/h13-14H,2-9H2,1H3.
What are the key properties of 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile?
1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile has a molecular weight of 259.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)cyclooctane-1-carbonitrile is sourced from PubChem (CID 114807748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).