2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine

C12H26N2O2S — CID 64844470

IUPAC2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
SMILESCC(C)CC1CNCCN1CCCS(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-11(2)9-12-10-13-5-7-14(12)6-4-8-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyGTLUSNBKLAUFNL-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine

2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64844470) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64844470
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
SMILESCC(C)CC1CNCCN1CCCS(C)(=O)=O
InChIInChI=1S/C12H26N2O2S/c1-11(2)9-12-10-13-5-7-14(12)6-4-8-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyGTLUSNBKLAUFNL-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine (CID 64844470) is 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine is CC(C)CC1CNCCN1CCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is GTLUSNBKLAUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)9-12-10-13-5-7-14(12)6-4-8-17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64844470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).