2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile

C7H15N3O2S — CID 82126340

IUPAC2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile
SMILESCN(C)S(=O)(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-7(2,6-8)10(5)13(11,12)9(3)4/h1-5H3
InChIKeyIUADWCJOGHTXKZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.03
Rot. Bonds3

About 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile

2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile (PubChem CID 82126340) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile
PubChem CID82126340
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile
SMILESCN(C)S(=O)(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C7H15N3O2S/c1-7(2,6-8)10(5)13(11,12)9(3)4/h1-5H3
InChIKeyIUADWCJOGHTXKZ-UHFFFAOYSA-N
XLogP0.03
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile (CID 82126340) is 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile is CN(C)S(=O)(=O)N(C)C(C)(C)C#N.
What is the InChIKey of 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is IUADWCJOGHTXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-7(2,6-8)10(5)13(11,12)9(3)4/h1-5H3.
What are the key properties of 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile?
2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylsulfamoyl(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 82126340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).