2-methyl-2-(propylsulfamoylamino)butanenitrile

C8H17N3O2S — CID 114807716

IUPAC2-methyl-2-(propylsulfamoylamino)butanenitrile
SMILESCCCNS(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C8H17N3O2S/c1-4-6-10-14(12,13)11-8(3,5-2)7-9/h10-11H,4-6H2,1-3H3
InChIKeyZMPYYKOEZVHFIO-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.51
Rot. Bonds6

About 2-methyl-2-(propylsulfamoylamino)butanenitrile

2-methyl-2-(propylsulfamoylamino)butanenitrile (PubChem CID 114807716) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propylsulfamoylamino)butanenitrile
PubChem CID114807716
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-methyl-2-(propylsulfamoylamino)butanenitrile
SMILESCCCNS(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C8H17N3O2S/c1-4-6-10-14(12,13)11-8(3,5-2)7-9/h10-11H,4-6H2,1-3H3
InChIKeyZMPYYKOEZVHFIO-UHFFFAOYSA-N
XLogP0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
3-Cyano-3-(diethylsulfamoylamino)pentane
CID 61124911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
1-Cyano-1-(diethylsulfamoylamino)-2-methylpropane
CID 64424984
1-Cyano-2-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 64425957
2,2-Dimethyl-3-(propan-2-ylsulfamoylamino)propanenitrile
CID 104069504
3-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
3-(Propan-2-ylsulfamoylamino)pentanenitrile
CID 104694086
2-Methyl-2-(methylsulfamoylamino)propanenitrile
CID 110605574
2-(Ethylsulfamoylamino)-2-methylpropanenitrile
CID 110605575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylsulfamoylamino)butanenitrile?
The IUPAC name of 2-methyl-2-(propylsulfamoylamino)butanenitrile (CID 114807716) is 2-methyl-2-(propylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-methyl-2-(propylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-methyl-2-(propylsulfamoylamino)butanenitrile is CCCNS(=O)(=O)NC(C)(C#N)CC.
What is the InChIKey of 2-methyl-2-(propylsulfamoylamino)butanenitrile?
The InChIKey is ZMPYYKOEZVHFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-4-6-10-14(12,13)11-8(3,5-2)7-9/h10-11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-(propylsulfamoylamino)butanenitrile?
2-methyl-2-(propylsulfamoylamino)butanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).