1-cyano-1-(diethylsulfamoylamino)cyclohexane

C11H21N3O2S — CID 60713524

IUPAC1-cyano-1-(diethylsulfamoylamino)cyclohexane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-3-14(4-2)17(15,16)13-11(10-12)8-6-5-7-9-11/h13H,3-9H2,1-2H3
InChIKeyIGIJDVYGIZFNPM-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.39
Rot. Bonds5

About 1-cyano-1-(diethylsulfamoylamino)cyclohexane

1-cyano-1-(diethylsulfamoylamino)cyclohexane (PubChem CID 60713524) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyano-1-(diethylsulfamoylamino)cyclohexane.

Molecular Properties

Compound Name1-cyano-1-(diethylsulfamoylamino)cyclohexane
PubChem CID60713524
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-cyano-1-(diethylsulfamoylamino)cyclohexane
SMILESCCN(CC)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-3-14(4-2)17(15,16)13-11(10-12)8-6-5-7-9-11/h13H,3-9H2,1-2H3
InChIKeyIGIJDVYGIZFNPM-UHFFFAOYSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(diethylsulfamoylamino)cyclohexane?
The IUPAC name of 1-cyano-1-(diethylsulfamoylamino)cyclohexane (CID 60713524) is 1-cyano-1-(diethylsulfamoylamino)cyclohexane.
What is the SMILES notation for 1-cyano-1-(diethylsulfamoylamino)cyclohexane?
The canonical SMILES for 1-cyano-1-(diethylsulfamoylamino)cyclohexane is CCN(CC)S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-1-(diethylsulfamoylamino)cyclohexane?
The InChIKey is IGIJDVYGIZFNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-14(4-2)17(15,16)13-11(10-12)8-6-5-7-9-11/h13H,3-9H2,1-2H3.
What are the key properties of 1-cyano-1-(diethylsulfamoylamino)cyclohexane?
1-cyano-1-(diethylsulfamoylamino)cyclohexane has a molecular weight of 259.37 g/mol, XLogP of 1.39, 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)cyclohexane is sourced from PubChem (CID 60713524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).