2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile

C9H19N3O2S — CID 79849960

IUPAC2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
SMILESCCNC(C#N)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-4-11-9(7-10)8-12(2)5-6-15(3,13)14/h9,11H,4-6,8H2,1-3H3
InChIKeyKUYVXKOQOZYFRS-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.54
Rot. Bonds7

About 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile

2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile (PubChem CID 79849960) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
PubChem CID79849960
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
SMILESCCNC(C#N)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H19N3O2S/c1-4-11-9(7-10)8-12(2)5-6-15(3,13)14/h9,11H,4-6,8H2,1-3H3
InChIKeyKUYVXKOQOZYFRS-UHFFFAOYSA-N
XLogP-0.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile?
The IUPAC name of 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile (CID 79849960) is 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile.
What is the SMILES notation for 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile?
The canonical SMILES for 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile is CCNC(C#N)CN(C)CCS(C)(=O)=O.
What is the InChIKey of 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile?
The InChIKey is KUYVXKOQOZYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-4-11-9(7-10)8-12(2)5-6-15(3,13)14/h9,11H,4-6,8H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile?
2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile has a molecular weight of 233.34 g/mol, XLogP of -0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile is sourced from PubChem (CID 79849960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).