2-(tert-butylsulfamoylamino)-2-methylpropanenitrile

C8H17N3O2S — CID 114807662

IUPAC2-(tert-butylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C)(C)NS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C8H17N3O2S/c1-7(2,3)10-14(12,13)11-8(4,5)6-9/h10-11H,1-5H3
InChIKeyYJKDEZLSAIBPQO-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.51
Rot. Bonds3

About 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile

2-(tert-butylsulfamoylamino)-2-methylpropanenitrile (PubChem CID 114807662) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-methylpropanenitrile
PubChem CID114807662
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-(tert-butylsulfamoylamino)-2-methylpropanenitrile
SMILESCC(C)(C)NS(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C8H17N3O2S/c1-7(2,3)10-14(12,13)11-8(4,5)6-9/h10-11H,1-5H3
InChIKeyYJKDEZLSAIBPQO-UHFFFAOYSA-N
XLogP0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-(tert-butylsulfamoyl)-2-methylpropan-2-amine
CID 2729622
2-methyl-N-(2-methylbutan-2-ylsulfamoyl)butan-2-amine
CID 13684819
N-(2-cyanopropan-2-yl)sulfamoyl chloride
CID 55279822
2-Cyano-2-(diethylsulfamoylamino)propane
CID 61127911
2-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453707
N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
CID 63689347
3-(Tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
2-Methyl-2-(methylsulfamoylamino)propanenitrile
CID 110605574
2-(Tert-butylsulfamoylamino)butanenitrile
CID 114807672
2-(Tert-butylsulfamoylamino)-2-methylbutanenitrile
CID 114807714
2-Methyl-2-(propylsulfamoylamino)butanenitrile
CID 114807716
2-(Tert-butylsulfamoylamino)-2-ethylbutanenitrile
CID 114807721

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile (CID 114807662) is 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile is CC(C)(C)NS(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
The InChIKey is YJKDEZLSAIBPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7(2,3)10-14(12,13)11-8(4,5)6-9/h10-11H,1-5H3.
What are the key properties of 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile?
2-(tert-butylsulfamoylamino)-2-methylpropanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-methylpropanenitrile is sourced from PubChem (CID 114807662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).