2-(tert-butylsulfamoylamino)butanenitrile

C8H17N3O2S — CID 114807672

IUPAC2-(tert-butylsulfamoylamino)butanenitrile
SMILESCCC(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-7(6-9)10-14(12,13)11-8(2,3)4/h7,10-11H,5H2,1-4H3
InChIKeyYCBPZYTXAPDQFK-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.51
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)butanenitrile

2-(tert-butylsulfamoylamino)butanenitrile (PubChem CID 114807672) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)butanenitrile
PubChem CID114807672
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-(tert-butylsulfamoylamino)butanenitrile
SMILESCCC(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-7(6-9)10-14(12,13)11-8(2,3)4/h7,10-11H,5H2,1-4H3
InChIKeyYCBPZYTXAPDQFK-UHFFFAOYSA-N
XLogP0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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
2-methyl-N-(propan-2-ylsulfamoyl)propan-2-amine
CID 57741188
3-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]pentane
CID 55137783
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453707
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453749
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62093898
1-Cyano-2-(diethylsulfamoylamino)propane
CID 62094802
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 62647781
n inverted exclamation marka-(2-cYanopropyl)-n-methyl-n-(1-methylethyl)sulfamide
CID 62651307
1-Cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62667953

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)butanenitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)butanenitrile (CID 114807672) is 2-(tert-butylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)butanenitrile is CCC(C#N)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)butanenitrile?
The InChIKey is YCBPZYTXAPDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-5-7(6-9)10-14(12,13)11-8(2,3)4/h7,10-11H,5H2,1-4H3.
What are the key properties of 2-(tert-butylsulfamoylamino)butanenitrile?
2-(tert-butylsulfamoylamino)butanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).