methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate

C10H20N2O4S — CID 47812170

IUPACmethyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
SMILESCCS(=O)(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-17(14,15)12-8-6-11(7-9-12)5-4-10(13)16-2/h3-9H2,1-2H3
InChIKeyDPHRFNGNPOQPBG-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.48
Rot. Bonds5

About methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate

methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate (PubChem CID 47812170) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
PubChem CID47812170
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
SMILESCCS(=O)(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-17(14,15)12-8-6-11(7-9-12)5-4-10(13)16-2/h3-9H2,1-2H3
InChIKeyDPHRFNGNPOQPBG-UHFFFAOYSA-N
XLogP-0.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]propanoate
CID 82842074
methyl 3-(4-prop-2-enylsulfonylpiperazin-1-yl)propanoate
CID 115536242
methyl 3-[4-(3-chloropropylsulfonyl)piperazin-1-yl]propanoate
CID 115536332
methyl 3-[4-(ethoxycarbonylsulfamoyl)piperazin-1-yl]propanoate
CID 114465560
methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
CID 78971806
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate (CID 47812170) is methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate is CCS(=O)(=O)N1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate?
The InChIKey is DPHRFNGNPOQPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-17(14,15)12-8-6-11(7-9-12)5-4-10(13)16-2/h3-9H2,1-2H3.
What are the key properties of methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate?
methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate has a molecular weight of 264.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate is sourced from PubChem (CID 47812170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).