1-(oxan-4-yl)-4-propylsulfonylpiperazine

C12H24N2O3S — CID 141437226

IUPAC1-(oxan-4-yl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-2-11-18(15,16)14-7-5-13(6-8-14)12-3-9-17-10-4-12/h12H,2-11H2,1H3
InChIKeyMDGFCTYNADGJOF-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.52
Rot. Bonds4

About 1-(oxan-4-yl)-4-propylsulfonylpiperazine

1-(oxan-4-yl)-4-propylsulfonylpiperazine (PubChem CID 141437226) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-propylsulfonylpiperazine
PubChem CID141437226
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(oxan-4-yl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-2-11-18(15,16)14-7-5-13(6-8-14)12-3-9-17-10-4-12/h12H,2-11H2,1H3
InChIKeyMDGFCTYNADGJOF-UHFFFAOYSA-N
XLogP0.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(oxan-4-yl)-4-propylsulfonylpiperazine (CID 141437226) is 1-(oxan-4-yl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(oxan-4-yl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(oxan-4-yl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-4-propylsulfonylpiperazine?
The InChIKey is MDGFCTYNADGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-11-18(15,16)14-7-5-13(6-8-14)12-3-9-17-10-4-12/h12H,2-11H2,1H3.
What are the key properties of 1-(oxan-4-yl)-4-propylsulfonylpiperazine?
1-(oxan-4-yl)-4-propylsulfonylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 141437226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).