1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one

C10H20N2O3S — CID 65097276

IUPAC1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one
SMILESCCS(=O)(=O)CCCN1CCNC(C)C1=O
InChIInChI=1S/C10H20N2O3S/c1-3-16(14,15)8-4-6-12-7-5-11-9(2)10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyJGJMUEONRFIJIO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.37
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one

1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one (PubChem CID 65097276) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one
PubChem CID65097276
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one
SMILESCCS(=O)(=O)CCCN1CCNC(C)C1=O
InChIInChI=1S/C10H20N2O3S/c1-3-16(14,15)8-4-6-12-7-5-11-9(2)10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyJGJMUEONRFIJIO-UHFFFAOYSA-N
XLogP-0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one (CID 65097276) is 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one is CCS(=O)(=O)CCCN1CCNC(C)C1=O.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one?
The InChIKey is JGJMUEONRFIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-16(14,15)8-4-6-12-7-5-11-9(2)10(12)13/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one?
1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one has a molecular weight of 248.35 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 65097276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).