2-methyl-2-(methylsulfamoylamino)butanenitrile

C6H13N3O2S — CID 114807719

IUPAC2-methyl-2-(methylsulfamoylamino)butanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC
InChIInChI=1S/C6H13N3O2S/c1-4-6(2,5-7)9-12(10,11)8-3/h8-9H,4H2,1-3H3
InChIKeyVIZNJXFXAYROTD-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.27
Rot. Bonds4

About 2-methyl-2-(methylsulfamoylamino)butanenitrile

2-methyl-2-(methylsulfamoylamino)butanenitrile (PubChem CID 114807719) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylsulfamoylamino)butanenitrile
PubChem CID114807719
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-methyl-2-(methylsulfamoylamino)butanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC
InChIInChI=1S/C6H13N3O2S/c1-4-6(2,5-7)9-12(10,11)8-3/h8-9H,4H2,1-3H3
InChIKeyVIZNJXFXAYROTD-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide
CID 61122119
N-(2-cyanobutan-2-yl)cyclohexanesulfonamide
CID 61122113
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
N-(2-cyanobutan-2-yl)-1-phenylmethanesulfonamide
CID 61123309
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103
2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
CID 107866794
N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61124897
4-cyano-N-(2-cyanobutan-2-yl)-2-methylbenzenesulfonamide
CID 103849897
2-cyanobutane-2-sulfonic acid
CID 154239244
2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine
CID 114812571
2-cyano-N-methylpropane-2-sulfonamide
CID 118172771
3-bromo-N-[(2S)-2-cyanobutan-2-yl]-4-ethoxybenzenesulfonamide
CID 97243604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfamoylamino)butanenitrile?
The IUPAC name of 2-methyl-2-(methylsulfamoylamino)butanenitrile (CID 114807719) is 2-methyl-2-(methylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-methyl-2-(methylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-methyl-2-(methylsulfamoylamino)butanenitrile is CCC(C)(C#N)NS(=O)(=O)NC.
What is the InChIKey of 2-methyl-2-(methylsulfamoylamino)butanenitrile?
The InChIKey is VIZNJXFXAYROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-4-6(2,5-7)9-12(10,11)8-3/h8-9H,4H2,1-3H3.
What are the key properties of 2-methyl-2-(methylsulfamoylamino)butanenitrile?
2-methyl-2-(methylsulfamoylamino)butanenitrile has a molecular weight of 191.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).