2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile

C8H17N3O2S — CID 114807720

IUPAC2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-8(4,6-9)11-14(12,13)10-7(2)3/h7,10-11H,5H2,1-4H3
InChIKeyKGBLFAQVEIYBAY-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.51
Rot. Bonds5

About 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile

2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile (PubChem CID 114807720) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile
PubChem CID114807720
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile
SMILESCCC(C)(C#N)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H17N3O2S/c1-5-8(4,6-9)11-14(12,13)10-7(2)3/h7,10-11H,5H2,1-4H3
InChIKeyKGBLFAQVEIYBAY-UHFFFAOYSA-N
XLogP0.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile (CID 114807720) is 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile is CCC(C)(C#N)NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile?
The InChIKey is KGBLFAQVEIYBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-5-8(4,6-9)11-14(12,13)10-7(2)3/h7,10-11H,5H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile?
2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile has a molecular weight of 219.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).