5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine

C12H24N2O2S — CID 64862396

IUPAC5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1CNC(C2CC2)CN1CCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-10-8-13-12(11-4-5-11)9-14(10)6-3-7-17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyRVTJVEFGKDABKQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.49
Rot. Bonds5

About 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine

5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64862396) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64862396
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
SMILESCC1CNC(C2CC2)CN1CCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-10-8-13-12(11-4-5-11)9-14(10)6-3-7-17(2,15)16/h10-13H,3-9H2,1-2H3
InChIKeyRVTJVEFGKDABKQ-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine (CID 64862396) is 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine is CC1CNC(C2CC2)CN1CCCS(C)(=O)=O.
What is the InChIKey of 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is RVTJVEFGKDABKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-8-13-12(11-4-5-11)9-14(10)6-3-7-17(2,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine?
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 260.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).