2-(ethylsulfamoylamino)-2-methylpropanenitrile

C6H13N3O2S — CID 110605575

IUPAC2-(ethylsulfamoylamino)-2-methylpropanenitrile
SMILESCCNS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-4-8-12(10,11)9-6(2,3)5-7/h8-9H,4H2,1-3H3
InChIKeyMTEHHIFYMZPNDB-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.27
Rot. Bonds4

About 2-(ethylsulfamoylamino)-2-methylpropanenitrile

2-(ethylsulfamoylamino)-2-methylpropanenitrile (PubChem CID 110605575) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-2-methylpropanenitrile
PubChem CID110605575
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-(ethylsulfamoylamino)-2-methylpropanenitrile
SMILESCCNS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-4-8-12(10,11)9-6(2,3)5-7/h8-9H,4H2,1-3H3
InChIKeyMTEHHIFYMZPNDB-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.27
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-(ethylsulfamoyl)-2-methylpropan-2-amine
CID 84284134
1-Amino-2-methyl-2-(sulfamoylamino)propane
CID 114958574
1-Cyano-1-(dimethylsulfamoylamino)ethane
CID 61123241
2-Cyano-2-(dimethylsulfamoylamino)propane
CID 61127913
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-methyl-N-(propylsulfamoyl)propan-2-amine
CID 84284135
(1R)-1-cyano-1-(dimethylsulfamoylamino)ethane
CID 93594408
2-Cyano-2-methyl-1-(sulfamoylamino)propane
CID 104046694

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(ethylsulfamoylamino)-2-methylpropanenitrile (CID 110605575) is 2-(ethylsulfamoylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(ethylsulfamoylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(ethylsulfamoylamino)-2-methylpropanenitrile is CCNS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of 2-(ethylsulfamoylamino)-2-methylpropanenitrile?
The InChIKey is MTEHHIFYMZPNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-4-8-12(10,11)9-6(2,3)5-7/h8-9H,4H2,1-3H3.
What are the key properties of 2-(ethylsulfamoylamino)-2-methylpropanenitrile?
2-(ethylsulfamoylamino)-2-methylpropanenitrile has a molecular weight of 191.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-2-methylpropanenitrile is sourced from PubChem (CID 110605575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).