methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate

C10H20N2O4S — CID 58730560

IUPACmethyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate
SMILESCCN1CCN(S(=O)(=O)CCC(=O)OC)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-11-5-7-12(8-6-11)17(14,15)9-4-10(13)16-2/h3-9H2,1-2H3
InChIKeySOHCYATXMYDYOO-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.48
Rot. Bonds5

About methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate

methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate (PubChem CID 58730560) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate
PubChem CID58730560
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate
SMILESCCN1CCN(S(=O)(=O)CCC(=O)OC)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-11-5-7-12(8-6-11)17(14,15)9-4-10(13)16-2/h3-9H2,1-2H3
InChIKeySOHCYATXMYDYOO-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate?
The IUPAC name of methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate (CID 58730560) is methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate.
What is the SMILES notation for methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate?
The canonical SMILES for methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate is CCN1CCN(S(=O)(=O)CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate?
The InChIKey is SOHCYATXMYDYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-11-5-7-12(8-6-11)17(14,15)9-4-10(13)16-2/h3-9H2,1-2H3.
What are the key properties of methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate?
methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate 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-ethylpiperazin-1-yl)sulfonylpropanoate is sourced from PubChem (CID 58730560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).