2-cyano-2-(dimethylsulfamoylamino)propane

C6H13N3O2S — CID 61127913

IUPAC2-cyano-2-(dimethylsulfamoylamino)propane
SMILESCN(C)S(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-6(2,5-7)8-12(10,11)9(3)4/h8H,1-4H3
InChIKeyIBVOPKLNSIOKKS-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.32
Rot. Bonds3

About 2-cyano-2-(dimethylsulfamoylamino)propane

2-cyano-2-(dimethylsulfamoylamino)propane (PubChem CID 61127913) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-cyano-2-(dimethylsulfamoylamino)propane.

Molecular Properties

Compound Name2-cyano-2-(dimethylsulfamoylamino)propane
PubChem CID61127913
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-cyano-2-(dimethylsulfamoylamino)propane
SMILESCN(C)S(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-6(2,5-7)8-12(10,11)9(3)4/h8H,1-4H3
InChIKeyIBVOPKLNSIOKKS-UHFFFAOYSA-N
XLogP-0.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{[(Tert-butyl)amino]sulfonyl}dimethylamine
CID 4357353
1-Cyano-1-(dimethylsulfamoylamino)ethane
CID 61123241
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
2-Cyano-2-(diethylsulfamoylamino)propane
CID 61127911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453707
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethane
CID 61453748
2-Cyano-1-(dimethylsulfamoylamino)propane
CID 62652220
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethane
CID 62653489
2-[Dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile
CID 82126340
(1R)-1-cyano-1-(dimethylsulfamoylamino)ethane
CID 93594408
2-[[2-Cyanoethyl(ethyl)sulfamoyl]amino]-2-methylpropane
CID 104538422
2-Methyl-2-(methylsulfamoylamino)propanenitrile
CID 110605574

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(dimethylsulfamoylamino)propane?
The IUPAC name of 2-cyano-2-(dimethylsulfamoylamino)propane (CID 61127913) is 2-cyano-2-(dimethylsulfamoylamino)propane.
What is the SMILES notation for 2-cyano-2-(dimethylsulfamoylamino)propane?
The canonical SMILES for 2-cyano-2-(dimethylsulfamoylamino)propane is CN(C)S(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of 2-cyano-2-(dimethylsulfamoylamino)propane?
The InChIKey is IBVOPKLNSIOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-6(2,5-7)8-12(10,11)9(3)4/h8H,1-4H3.
What are the key properties of 2-cyano-2-(dimethylsulfamoylamino)propane?
2-cyano-2-(dimethylsulfamoylamino)propane has a molecular weight of 191.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(dimethylsulfamoylamino)propane is sourced from PubChem (CID 61127913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).