1-(2-methylpropyl)-4-propylsulfonylpiperazine

C11H24N2O2S — CID 60756696

IUPAC1-(2-methylpropyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-4-9-16(14,15)13-7-5-12(6-8-13)10-11(2)3/h11H,4-10H2,1-3H3
InChIKeyALZJFKXPQJWXMF-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.00
Rot. Bonds5

About 1-(2-methylpropyl)-4-propylsulfonylpiperazine

1-(2-methylpropyl)-4-propylsulfonylpiperazine (PubChem CID 60756696) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-propylsulfonylpiperazine
PubChem CID60756696
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-methylpropyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C11H24N2O2S/c1-4-9-16(14,15)13-7-5-12(6-8-13)10-11(2)3/h11H,4-10H2,1-3H3
InChIKeyALZJFKXPQJWXMF-UHFFFAOYSA-N
XLogP1.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(2-methylpropyl)-4-propylsulfonylpiperazine (CID 60756696) is 1-(2-methylpropyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-propylsulfonylpiperazine?
The InChIKey is ALZJFKXPQJWXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-9-16(14,15)13-7-5-12(6-8-13)10-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-4-propylsulfonylpiperazine?
1-(2-methylpropyl)-4-propylsulfonylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 60756696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).