2-cyano-2-(diethylsulfamoylamino)butane

C9H19N3O2S — CID 61124506

IUPAC2-cyano-2-(diethylsulfamoylamino)butane
SMILESCCN(CC)S(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C9H19N3O2S/c1-5-9(4,8-10)11-15(13,14)12(6-2)7-3/h11H,5-7H2,1-4H3
InChIKeyNVJMXIYAJVQRTQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.85
Rot. Bonds6

About 2-cyano-2-(diethylsulfamoylamino)butane

2-cyano-2-(diethylsulfamoylamino)butane (PubChem CID 61124506) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-cyano-2-(diethylsulfamoylamino)butane.

Molecular Properties

Compound Name2-cyano-2-(diethylsulfamoylamino)butane
PubChem CID61124506
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-cyano-2-(diethylsulfamoylamino)butane
SMILESCCN(CC)S(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C9H19N3O2S/c1-5-9(4,8-10)11-15(13,14)12(6-2)7-3/h11H,5-7H2,1-4H3
InChIKeyNVJMXIYAJVQRTQ-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylsulfamoylamino)-2-methylpropane
CID 60713537
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide
CID 61122119
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-Cyano-2-(diethylsulfamoylamino)propane
CID 61127911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453707
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
1-Cyano-2-(diethylsulfamoylamino)propane
CID 62094802
1-Cyano-2-(diethylsulfamoylamino)butane
CID 62645650

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(diethylsulfamoylamino)butane?
The IUPAC name of 2-cyano-2-(diethylsulfamoylamino)butane (CID 61124506) is 2-cyano-2-(diethylsulfamoylamino)butane.
What is the SMILES notation for 2-cyano-2-(diethylsulfamoylamino)butane?
The canonical SMILES for 2-cyano-2-(diethylsulfamoylamino)butane is CCN(CC)S(=O)(=O)NC(C)(C#N)CC.
What is the InChIKey of 2-cyano-2-(diethylsulfamoylamino)butane?
The InChIKey is NVJMXIYAJVQRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-5-9(4,8-10)11-15(13,14)12(6-2)7-3/h11H,5-7H2,1-4H3.
What are the key properties of 2-cyano-2-(diethylsulfamoylamino)butane?
2-cyano-2-(diethylsulfamoylamino)butane has a molecular weight of 233.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(diethylsulfamoylamino)butane is sourced from PubChem (CID 61124506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).