2-methyl-2-(methylsulfamoylamino)propanenitrile

C5H11N3O2S — CID 110605574

IUPAC2-methyl-2-(methylsulfamoylamino)propanenitrile
SMILESCNS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C5H11N3O2S/c1-5(2,4-6)8-11(9,10)7-3/h7-8H,1-3H3
InChIKeyGGDMAUAAZIMIEU-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.66
Rot. Bonds3

About 2-methyl-2-(methylsulfamoylamino)propanenitrile

2-methyl-2-(methylsulfamoylamino)propanenitrile (PubChem CID 110605574) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylsulfamoylamino)propanenitrile
PubChem CID110605574
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name2-methyl-2-(methylsulfamoylamino)propanenitrile
SMILESCNS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C5H11N3O2S/c1-5(2,4-6)8-11(9,10)7-3/h7-8H,1-3H3
InChIKeyGGDMAUAAZIMIEU-UHFFFAOYSA-N
XLogP-0.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
CID 114807663
2-methyl-N-(methylsulfamoyl)propan-2-amine
CID 84284133
N-(2-cyanopropan-2-yl)sulfamoyl chloride
CID 55279822
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
2-Cyano-2-(dimethylsulfamoylamino)propane
CID 61127913
3-(Ethylsulfamoylamino)-2,2-dimethylpropanenitrile
CID 104069480
3-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
2-(Ethylsulfamoylamino)-2-methylpropanenitrile
CID 110605575
2-Methyl-2-(propylsulfamoylamino)propanenitrile
CID 110605576
2-Methyl-2-(propan-2-ylsulfamoylamino)propanenitrile
CID 110605577
2-Cyano-1-(sulfamoylamino)propane
CID 112696448
2-(Tert-butylsulfamoylamino)acetonitrile
CID 114807655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfamoylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(methylsulfamoylamino)propanenitrile (CID 110605574) is 2-methyl-2-(methylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(methylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(methylsulfamoylamino)propanenitrile is CNS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(methylsulfamoylamino)propanenitrile?
The InChIKey is GGDMAUAAZIMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-5(2,4-6)8-11(9,10)7-3/h7-8H,1-3H3.
What are the key properties of 2-methyl-2-(methylsulfamoylamino)propanenitrile?
2-methyl-2-(methylsulfamoylamino)propanenitrile has a molecular weight of 177.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfamoylamino)propanenitrile is sourced from PubChem (CID 110605574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).