2-(tert-butylsulfamoylamino)-2-methylbutanenitrile

C9H19N3O2S — CID 114807714

IUPAC2-(tert-butylsulfamoylamino)-2-methylbutanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-6-9(5,7-10)12-15(13,14)11-8(2,3)4/h11-12H,6H2,1-5H3
InChIKeyBGVIWPWNGMUSPX-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.90
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile

2-(tert-butylsulfamoylamino)-2-methylbutanenitrile (PubChem CID 114807714) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-methylbutanenitrile
PubChem CID114807714
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-(tert-butylsulfamoylamino)-2-methylbutanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19N3O2S/c1-6-9(5,7-10)12-15(13,14)11-8(2,3)4/h11-12H,6H2,1-5H3
InChIKeyBGVIWPWNGMUSPX-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-methyl-N-(2-methylbutan-2-ylsulfamoyl)butan-2-amine
CID 13684819
3-Cyano-3-(dimethylsulfamoylamino)pentane
CID 61122126
2-Cyano-2-(diethylsulfamoylamino)butane
CID 61124506
2-Cyano-2-(dimethylsulfamoylamino)butane
CID 61124900
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453829
N-(2-cyanobutan-2-yl)-2-methylpropane-2-sulfonamide
CID 63689725
2-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 114807662
2-(Tert-butylsulfamoylamino)butanenitrile
CID 114807672
2-Methyl-2-(propylsulfamoylamino)butanenitrile
CID 114807716
2-(Ethylsulfamoylamino)-2-methylbutanenitrile
CID 114807718
2-Methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
2-Methyl-2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807720

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile (CID 114807714) is 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile is CCC(C)(C#N)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile?
The InChIKey is BGVIWPWNGMUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-6-9(5,7-10)12-15(13,14)11-8(2,3)4/h11-12H,6H2,1-5H3.
What are the key properties of 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile?
2-(tert-butylsulfamoylamino)-2-methylbutanenitrile has a molecular weight of 233.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-methylbutanenitrile is sourced from PubChem (CID 114807714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).