1-cyano-1-(dimethylsulfamoylamino)cyclohexane

C9H17N3O2S — CID 61123479

IUPAC1-cyano-1-(dimethylsulfamoylamino)cyclohexane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C9H17N3O2S/c1-12(2)15(13,14)11-9(8-10)6-4-3-5-7-9/h11H,3-7H2,1-2H3
InChIKeyKOAUCSDYXODSLE-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.61
Rot. Bonds3

About 1-cyano-1-(dimethylsulfamoylamino)cyclohexane

1-cyano-1-(dimethylsulfamoylamino)cyclohexane (PubChem CID 61123479) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)cyclohexane
PubChem CID61123479
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)cyclohexane
SMILESCN(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C9H17N3O2S/c1-12(2)15(13,14)11-9(8-10)6-4-3-5-7-9/h11H,3-7H2,1-2H3
InChIKeyKOAUCSDYXODSLE-UHFFFAOYSA-N
XLogP0.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
[[Cyanomethyl(methyl)sulfamoyl]amino]methylcyclohexane
CID 144231011
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-Amino-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 43598188
[Cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
CID 54947099
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947882
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
1-Cyano-1-(diethylsulfamoylamino)cyclohexane
CID 60713524
N-(1-cyanocyclohexyl)azepane-1-sulfonamide
CID 60713525
N-(1-cyanocyclohexyl)piperidine-1-sulfonamide
CID 60723801
N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide
CID 60723802

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)cyclohexane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)cyclohexane (CID 61123479) is 1-cyano-1-(dimethylsulfamoylamino)cyclohexane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)cyclohexane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)cyclohexane is CN(C)S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)cyclohexane?
The InChIKey is KOAUCSDYXODSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-12(2)15(13,14)11-9(8-10)6-4-3-5-7-9/h11H,3-7H2,1-2H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)cyclohexane?
1-cyano-1-(dimethylsulfamoylamino)cyclohexane has a molecular weight of 231.32 g/mol, XLogP of 0.61, 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)cyclohexane is sourced from PubChem (CID 61123479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).