3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate

C10H20N2O4S — CID 54395612

IUPAC3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O4S/c1-10(13)16-8-3-9-17(14,15)12-6-4-11(2)5-7-12/h3-9H2,1-2H3
InChIKeyVJSGTNYYUGCPOT-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.48
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate

3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate (PubChem CID 54395612) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate
PubChem CID54395612
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O4S/c1-10(13)16-8-3-9-17(14,15)12-6-4-11(2)5-7-12/h3-9H2,1-2H3
InChIKeyVJSGTNYYUGCPOT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate (CID 54395612) is 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate is CC(=O)OCCCS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate?
The InChIKey is VJSGTNYYUGCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(13)16-8-3-9-17(14,15)12-6-4-11(2)5-7-12/h3-9H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate?
3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate 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 3-(4-methylpiperazin-1-yl)sulfonylpropyl acetate is sourced from PubChem (CID 54395612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).