2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile

C14H28N4O2S — CID 106803569

IUPAC2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H28N4O2S/c1-4-14(13-15,16-5-2)7-6-8-17-9-11-18(12-10-17)21(3,19)20/h16H,4-12H2,1-3H3
InChIKeyFOQKPOOQFOPKGE-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.63
Rot. Bonds8

About 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile

2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile (PubChem CID 106803569) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
PubChem CID106803569
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H28N4O2S/c1-4-14(13-15,16-5-2)7-6-8-17-9-11-18(12-10-17)21(3,19)20/h16H,4-12H2,1-3H3
InChIKeyFOQKPOOQFOPKGE-UHFFFAOYSA-N
XLogP0.63
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-(methylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 106803568
2-ethyl-2-(ethylamino)-5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 106802936
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106802865
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803583
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619
2-ethyl-2-(ethylamino)-5-[3-(methoxymethyl)piperidin-1-yl]pentanenitrile
CID 106804088
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803999
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804026
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803115
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
1-hexyl-4-methylsulfonylpiperazine
CID 91481078

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile (CID 106803569) is 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile is CCNC(C#N)(CC)CCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
The InChIKey is FOQKPOOQFOPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-4-14(13-15,16-5-2)7-6-8-17-9-11-18(12-10-17)21(3,19)20/h16H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile has a molecular weight of 316.47 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-ethyl-2-(ethylamino)-5-(4-methylsulfonylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 106803569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).