1-cyano-1-(sulfamoylamino)cyclooctane

C9H17N3O2S — CID 114959123

IUPAC1-cyano-1-(sulfamoylamino)cyclooctane
SMILESN#CC1(NS(N)(=O)=O)CCCCCCC1
InChIInChI=1S/C9H17N3O2S/c10-8-9(12-15(11,13)14)6-4-2-1-3-5-7-9/h12H,1-7H2,(H2,11,13,14)
InChIKeyBLMDTSWJWUVLSF-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.79
Rot. Bonds2

About 1-cyano-1-(sulfamoylamino)cyclooctane

1-cyano-1-(sulfamoylamino)cyclooctane (PubChem CID 114959123) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-cyano-1-(sulfamoylamino)cyclooctane.

Molecular Properties

Compound Name1-cyano-1-(sulfamoylamino)cyclooctane
PubChem CID114959123
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-cyano-1-(sulfamoylamino)cyclooctane
SMILESN#CC1(NS(N)(=O)=O)CCCCCCC1
InChIInChI=1S/C9H17N3O2S/c10-8-9(12-15(11,13)14)6-4-2-1-3-5-7-9/h12H,1-7H2,(H2,11,13,14)
InChIKeyBLMDTSWJWUVLSF-UHFFFAOYSA-N
XLogP0.79
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
CID 83083803
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807696
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
CID 61358180
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
CID 61122968
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-(1-cyanocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 60660795

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(sulfamoylamino)cyclooctane?
The IUPAC name of 1-cyano-1-(sulfamoylamino)cyclooctane (CID 114959123) is 1-cyano-1-(sulfamoylamino)cyclooctane.
What is the SMILES notation for 1-cyano-1-(sulfamoylamino)cyclooctane?
The canonical SMILES for 1-cyano-1-(sulfamoylamino)cyclooctane is N#CC1(NS(N)(=O)=O)CCCCCCC1.
What is the InChIKey of 1-cyano-1-(sulfamoylamino)cyclooctane?
The InChIKey is BLMDTSWJWUVLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c10-8-9(12-15(11,13)14)6-4-2-1-3-5-7-9/h12H,1-7H2,(H2,11,13,14).
What are the key properties of 1-cyano-1-(sulfamoylamino)cyclooctane?
1-cyano-1-(sulfamoylamino)cyclooctane has a molecular weight of 231.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(sulfamoylamino)cyclooctane is sourced from PubChem (CID 114959123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).