2-methyl-2-(propylsulfamoylamino)propanenitrile

C7H15N3O2S — CID 110605576

IUPAC2-methyl-2-(propylsulfamoylamino)propanenitrile
SMILESCCCNS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-4-5-9-13(11,12)10-7(2,3)6-8/h9-10H,4-5H2,1-3H3
InChIKeyZNZCLJBUNONOAP-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.12
Rot. Bonds5

About 2-methyl-2-(propylsulfamoylamino)propanenitrile

2-methyl-2-(propylsulfamoylamino)propanenitrile (PubChem CID 110605576) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propylsulfamoylamino)propanenitrile
PubChem CID110605576
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-methyl-2-(propylsulfamoylamino)propanenitrile
SMILESCCCNS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-4-5-9-13(11,12)10-7(2,3)6-8/h9-10H,4-5H2,1-3H3
InChIKeyZNZCLJBUNONOAP-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.12
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-methyl-2-(propylsulfamoylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(propylsulfamoylamino)propanenitrile (CID 110605576) is 2-methyl-2-(propylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(propylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(propylsulfamoylamino)propanenitrile is CCCNS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(propylsulfamoylamino)propanenitrile?
The InChIKey is ZNZCLJBUNONOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-5-9-13(11,12)10-7(2,3)6-8/h9-10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-2-(propylsulfamoylamino)propanenitrile?
2-methyl-2-(propylsulfamoylamino)propanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylsulfamoylamino)propanenitrile is sourced from PubChem (CID 110605576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).