2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane

C8H17N3O2S — CID 61453707

IUPAC2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C8H17N3O2S/c1-7(2)11(5)14(12,13)10-8(3,4)6-9/h7,10H,1-5H3
InChIKeyXDZONIIEQSVCEG-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.46
Rot. Bonds4

About 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane

2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane (PubChem CID 61453707) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
PubChem CID61453707
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C8H17N3O2S/c1-7(2)11(5)14(12,13)10-8(3,4)6-9/h7,10H,1-5H3
InChIKeyXDZONIIEQSVCEG-UHFFFAOYSA-N
XLogP0.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylsulfamoylamino)-2-methylpropane
CID 60713537
2-[[Tert-butyl(methyl)sulfamoyl]amino]-2-methylpropane
CID 134401979
2-[[2-Cyanoethyl(methyl)sulfamoyl]amino]butane
CID 47164658
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
1-Cyano-1-(dimethylsulfamoylamino)ethane
CID 61123241
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-Cyano-2-(diethylsulfamoylamino)propane
CID 61127911
2-Cyano-2-(dimethylsulfamoylamino)propane
CID 61127913
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethane
CID 61453748
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453749

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The IUPAC name of 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane (CID 61453707) is 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane.
What is the SMILES notation for 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The canonical SMILES for 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane is CC(C)N(C)S(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The InChIKey is XDZONIIEQSVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7(2)11(5)14(12,13)10-8(3,4)6-9/h7,10H,1-5H3.
What are the key properties of 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane has a molecular weight of 219.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane is sourced from PubChem (CID 61453707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).