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

C10H21N3O2S — CID 79849868

IUPAC2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
SMILESCC(CC(C)(N)C#N)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H21N3O2S/c1-9(7-10(2,12)8-11)13(3)5-6-16(4,14)15/h9H,5-7,12H2,1-4H3
InChIKeyVQWLXFHFUYLCHN-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.02
Rot. Bonds6

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

2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile (PubChem CID 79849868) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
PubChem CID79849868
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
SMILESCC(CC(C)(N)C#N)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H21N3O2S/c1-9(7-10(2,12)8-11)13(3)5-6-16(4,14)15/h9H,5-7,12H2,1-4H3
InChIKeyVQWLXFHFUYLCHN-UHFFFAOYSA-N
XLogP-0.02
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile (CID 79849868) is 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile is CC(CC(C)(N)C#N)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The InChIKey is VQWLXFHFUYLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-9(7-10(2,12)8-11)13(3)5-6-16(4,14)15/h9H,5-7,12H2,1-4H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile has a molecular weight of 247.36 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile is sourced from PubChem (CID 79849868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).