1-(3-methylsulfonylpropyl)-2-propylpiperazine

C11H24N2O2S — CID 64832534

IUPAC1-(3-methylsulfonylpropyl)-2-propylpiperazine
SMILESCCCC1CNCCN1CCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-3-5-11-10-12-6-8-13(11)7-4-9-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyXJFAEXVAWSZFHP-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.50
Rot. Bonds6

About 1-(3-methylsulfonylpropyl)-2-propylpiperazine

1-(3-methylsulfonylpropyl)-2-propylpiperazine (PubChem CID 64832534) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-2-propylpiperazine.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-2-propylpiperazine
PubChem CID64832534
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(3-methylsulfonylpropyl)-2-propylpiperazine
SMILESCCCC1CNCCN1CCCS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-3-5-11-10-12-6-8-13(11)7-4-9-16(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyXJFAEXVAWSZFHP-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-2-propylpiperazine?
The IUPAC name of 1-(3-methylsulfonylpropyl)-2-propylpiperazine (CID 64832534) is 1-(3-methylsulfonylpropyl)-2-propylpiperazine.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-2-propylpiperazine?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-2-propylpiperazine is CCCC1CNCCN1CCCS(C)(=O)=O.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-2-propylpiperazine?
The InChIKey is XJFAEXVAWSZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-5-11-10-12-6-8-13(11)7-4-9-16(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-2-propylpiperazine?
1-(3-methylsulfonylpropyl)-2-propylpiperazine has a molecular weight of 248.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)-2-propylpiperazine is sourced from PubChem (CID 64832534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).