2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile

C10H21N3O2S — CID 114815079

IUPAC2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C10H21N3O2S/c1-5-10(6-2,8-11)13-16(14,15)12-7-9(3)4/h9,12-13H,5-7H2,1-4H3
InChIKeyIYAYBCGYCGFYJS-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.15
Rot. Bonds7

About 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile

2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile (PubChem CID 114815079) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile
PubChem CID114815079
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NCC(C)C
InChIInChI=1S/C10H21N3O2S/c1-5-10(6-2,8-11)13-16(14,15)12-7-9(3)4/h9,12-13H,5-7H2,1-4H3
InChIKeyIYAYBCGYCGFYJS-UHFFFAOYSA-N
XLogP1.15
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile (CID 114815079) is 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile is CCC(C#N)(CC)NS(=O)(=O)NCC(C)C.
What is the InChIKey of 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile?
The InChIKey is IYAYBCGYCGFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-5-10(6-2,8-11)13-16(14,15)12-7-9(3)4/h9,12-13H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile?
2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile has a molecular weight of 247.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114815079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).