2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile

C11H21N3O2S — CID 55203312

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H21N3O2S/c1-3-5-11(10-12)13-6-8-14(9-7-13)17(15,16)4-2/h11H,3-9H2,1-2H3
InChIKeyYCFBOYVDNXPEBH-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.65
Rot. Bonds5

About 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile

2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile (PubChem CID 55203312) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile
PubChem CID55203312
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H21N3O2S/c1-3-5-11(10-12)13-6-8-14(9-7-13)17(15,16)4-2/h11H,3-9H2,1-2H3
InChIKeyYCFBOYVDNXPEBH-UHFFFAOYSA-N
XLogP0.65
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile (CID 55203312) is 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile is CCCC(C#N)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile?
The InChIKey is YCFBOYVDNXPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-5-11(10-12)13-6-8-14(9-7-13)17(15,16)4-2/h11H,3-9H2,1-2H3.
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile?
2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile has a molecular weight of 259.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 55203312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).