2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile

C13H25N3O2S — CID 79850050

IUPAC2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(C#N)NC1CC1)CCS(C)(=O)=O
InChIInChI=1S/C13H25N3O2S/c1-13(11-14,15-12-5-6-12)7-4-8-16(2)9-10-19(3,17)18/h12,15H,4-10H2,1-3H3
InChIKeyLGNONQXSRLPDRF-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.78
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile

2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile (PubChem CID 79850050) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
PubChem CID79850050
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(C#N)NC1CC1)CCS(C)(=O)=O
InChIInChI=1S/C13H25N3O2S/c1-13(11-14,15-12-5-6-12)7-4-8-16(2)9-10-19(3,17)18/h12,15H,4-10H2,1-3H3
InChIKeyLGNONQXSRLPDRF-UHFFFAOYSA-N
XLogP0.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile (CID 79850050) is 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile is CN(CCCC(C)(C#N)NC1CC1)CCS(C)(=O)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
The InChIKey is LGNONQXSRLPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-13(11-14,15-12-5-6-12)7-4-8-16(2)9-10-19(3,17)18/h12,15H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile?
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile has a molecular weight of 287.43 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile is sourced from PubChem (CID 79850050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).