2-(tert-butylsulfamoylamino)pentanenitrile

C9H19N3O2S — CID 114807679

IUPAC2-(tert-butylsulfamoylamino)pentanenitrile
SMILESCCCC(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-5-6-8(7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-6H2,1-4H3
InChIKeyGQKYBJCWYBLZJA-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.90
Rot. Bonds5

About 2-(tert-butylsulfamoylamino)pentanenitrile

2-(tert-butylsulfamoylamino)pentanenitrile (PubChem CID 114807679) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)pentanenitrile
PubChem CID114807679
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-(tert-butylsulfamoylamino)pentanenitrile
SMILESCCCC(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-5-6-8(7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-6H2,1-4H3
InChIKeyGQKYBJCWYBLZJA-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
1-Cyano-1-(diethylsulfamoylamino)butane
CID 61123072
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453750
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
1-Cyano-2-(diethylsulfamoylamino)butane
CID 62645650
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 62647781
1-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62667953
1-Cyano-4-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 63296889
N-(1-cyanobutyl)-2-methylpropane-2-sulfonamide
CID 63689350
2,2-Dimethyl-3-(propan-2-ylsulfamoylamino)propanenitrile
CID 104069504
4-(Propan-2-ylsulfamoylamino)butanenitrile
CID 104462757
2-[Tert-butylsulfamoyl(methyl)amino]-1-cyanopropane
CID 104538426

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)pentanenitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)pentanenitrile (CID 114807679) is 2-(tert-butylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)pentanenitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)pentanenitrile is CCCC(C#N)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)pentanenitrile?
The InChIKey is GQKYBJCWYBLZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-5-6-8(7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-6H2,1-4H3.
What are the key properties of 2-(tert-butylsulfamoylamino)pentanenitrile?
2-(tert-butylsulfamoylamino)pentanenitrile has a molecular weight of 233.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114807679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).