2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile

C12H25N3O2S — CID 79858456

IUPAC2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H25N3O2S/c1-6-14-12(3,10-13)9-11(2)15(4)7-8-18(5,16)17/h11,14H,6-9H2,1-5H3
InChIKeyZAUBKVSLRQMLHD-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.63
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile

2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile (PubChem CID 79858456) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
PubChem CID79858456
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C12H25N3O2S/c1-6-14-12(3,10-13)9-11(2)15(4)7-8-18(5,16)17/h11,14H,6-9H2,1-5H3
InChIKeyZAUBKVSLRQMLHD-UHFFFAOYSA-N
XLogP0.63
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile (CID 79858456) is 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile is CCNC(C)(C#N)CC(C)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The InChIKey is ZAUBKVSLRQMLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-6-14-12(3,10-13)9-11(2)15(4)7-8-18(5,16)17/h11,14H,6-9H2,1-5H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile has a molecular weight of 275.42 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile is sourced from PubChem (CID 79858456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).