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

C10H19N3O2S — CID 63341136

IUPAC2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S/c1-3-4-10(9-11)12-5-7-13(8-6-12)16(2,14)15/h10H,3-8H2,1-2H3
InChIKeyLXQFQYWFYIPCNB-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.26
Rot. Bonds4

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

2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile (PubChem CID 63341136) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
PubChem CID63341136
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S/c1-3-4-10(9-11)12-5-7-13(8-6-12)16(2,14)15/h10H,3-8H2,1-2H3
InChIKeyLXQFQYWFYIPCNB-UHFFFAOYSA-N
XLogP0.26
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile (CID 63341136) is 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile is CCCC(C#N)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
The InChIKey is LXQFQYWFYIPCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-4-10(9-11)12-5-7-13(8-6-12)16(2,14)15/h10H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile?
2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile has a molecular weight of 245.35 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 63341136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).