2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane

C9H19N3O2S — CID 104538422

IUPAC2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane
SMILESCCN(CCC#N)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-5-12(8-6-7-10)15(13,14)11-9(2,3)4/h11H,5-6,8H2,1-4H3
InChIKeyFSUKSFJUAOGNFN-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.85
Rot. Bonds5

About 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane

2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane (PubChem CID 104538422) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane
PubChem CID104538422
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane
SMILESCCN(CCC#N)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-5-12(8-6-7-10)15(13,14)11-9(2,3)4/h11H,5-6,8H2,1-4H3
InChIKeyFSUKSFJUAOGNFN-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane?
The IUPAC name of 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane (CID 104538422) is 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane is CCN(CCC#N)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is FSUKSFJUAOGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-5-12(8-6-7-10)15(13,14)11-9(2,3)4/h11H,5-6,8H2,1-4H3.
What are the key properties of 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane?
2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 233.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane is sourced from PubChem (CID 104538422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).