1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane

C12H23N3O2S — CID 61125076

IUPAC1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C12H23N3O2S/c1-4-15(5-2)18(16,17)14-12(10-13)8-6-11(3)7-9-12/h11,14H,4-9H2,1-3H3
InChIKeyWQSSLGLYAWYVAI-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.64
Rot. Bonds5

About 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane

1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane (PubChem CID 61125076) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane
PubChem CID61125076
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C12H23N3O2S/c1-4-15(5-2)18(16,17)14-12(10-13)8-6-11(3)7-9-12/h11,14H,4-9H2,1-3H3
InChIKeyWQSSLGLYAWYVAI-UHFFFAOYSA-N
XLogP1.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807700
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 28940686
1-(Aminomethyl)-1-(diethylsulfamoylamino)-4-methylcyclohexane
CID 28940706
1-[[2-Cyanoethyl(methyl)sulfamoyl]amino]-4-methylcyclohexane
CID 35431200
[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)cyclohexane
CID 60713524
N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 60728775
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61121904
N-(1-cyano-4-methylcyclohexyl)-2-methylpiperidine-1-sulfonamide
CID 61122093
N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
CID 61122100

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane (CID 61125076) is 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane is CCN(CC)S(=O)(=O)NC1(C#N)CCC(C)CC1.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane?
The InChIKey is WQSSLGLYAWYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-15(5-2)18(16,17)14-12(10-13)8-6-11(3)7-9-12/h11,14H,4-9H2,1-3H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane?
1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane has a molecular weight of 273.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(diethylsulfamoylamino)-4-methylcyclohexane is sourced from PubChem (CID 61125076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).