2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile

C13H24N4O2S — CID 63341093

IUPAC2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H24N4O2S/c1-2-5-13(12-14)15-8-10-17(11-9-15)20(18,19)16-6-3-4-7-16/h13H,2-11H2,1H3
InChIKeyIJFXNBAPFMVWKT-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.64
Rot. Bonds5

About 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile

2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile (PubChem CID 63341093) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
PubChem CID63341093
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H24N4O2S/c1-2-5-13(12-14)15-8-10-17(11-9-15)20(18,19)16-6-3-4-7-16/h13H,2-11H2,1H3
InChIKeyIJFXNBAPFMVWKT-UHFFFAOYSA-N
XLogP0.64
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile (CID 63341093) is 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile is CCCC(C#N)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile?
The InChIKey is IJFXNBAPFMVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-2-5-13(12-14)15-8-10-17(11-9-15)20(18,19)16-6-3-4-7-16/h13H,2-11H2,1H3.
What are the key properties of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile?
2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile has a molecular weight of 300.43 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 63341093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).