2-(propylsulfamoylamino)pentanenitrile

C8H17N3O2S — CID 114807681

IUPAC2-(propylsulfamoylamino)pentanenitrile
SMILESCCCNS(=O)(=O)NC(C#N)CCC
InChIInChI=1S/C8H17N3O2S/c1-3-5-8(7-9)11-14(12,13)10-6-4-2/h8,10-11H,3-6H2,1-2H3
InChIKeyXOGQQXQETKXHKD-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.51
Rot. Bonds7

About 2-(propylsulfamoylamino)pentanenitrile

2-(propylsulfamoylamino)pentanenitrile (PubChem CID 114807681) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(propylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name2-(propylsulfamoylamino)pentanenitrile
PubChem CID114807681
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-(propylsulfamoylamino)pentanenitrile
SMILESCCCNS(=O)(=O)NC(C#N)CCC
InChIInChI=1S/C8H17N3O2S/c1-3-5-8(7-9)11-14(12,13)10-6-4-2/h8,10-11H,3-6H2,1-2H3
InChIKeyXOGQQXQETKXHKD-UHFFFAOYSA-N
XLogP0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

1-Cyanobutylazanium sulfite
CID 10171287
1-Cyano-1-(diethylsulfamoylamino)butane
CID 61123072
1-Cyano-1-(dimethylsulfamoylamino)butane
CID 61123466
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453749
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453750
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62093898
1-Cyano-2-(diethylsulfamoylamino)propane
CID 62094802
1-Cyano-2-(diethylsulfamoylamino)butane
CID 62645650
1-Cyano-2-(dimethylsulfamoylamino)butane
CID 62645835
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 62647781
1-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62667953

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfamoylamino)pentanenitrile?
The IUPAC name of 2-(propylsulfamoylamino)pentanenitrile (CID 114807681) is 2-(propylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 2-(propylsulfamoylamino)pentanenitrile?
The canonical SMILES for 2-(propylsulfamoylamino)pentanenitrile is CCCNS(=O)(=O)NC(C#N)CCC.
What is the InChIKey of 2-(propylsulfamoylamino)pentanenitrile?
The InChIKey is XOGQQXQETKXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-3-5-8(7-9)11-14(12,13)10-6-4-2/h8,10-11H,3-6H2,1-2H3.
What are the key properties of 2-(propylsulfamoylamino)pentanenitrile?
2-(propylsulfamoylamino)pentanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114807681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).