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

C10H20N2O4S — CID 67403425

IUPAC3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(13)16-7-2-8-17(14,15)12-5-3-10(11)4-6-12/h10H,2-8,11H2,1H3
InChIKeyCUOISFUFZLZUMM-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.31
Rot. Bonds5

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

3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate (PubChem CID 67403425) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate
PubChem CID67403425
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate
SMILESCC(=O)OCCCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(13)16-7-2-8-17(14,15)12-5-3-10(11)4-6-12/h10H,2-8,11H2,1H3
InChIKeyCUOISFUFZLZUMM-UHFFFAOYSA-N
XLogP-0.31
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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-aminopiperidin-1-yl)sulfonylpropyl acetate?
The IUPAC name of 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate (CID 67403425) is 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate is CC(=O)OCCCS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate?
The InChIKey is CUOISFUFZLZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(13)16-7-2-8-17(14,15)12-5-3-10(11)4-6-12/h10H,2-8,11H2,1H3.
What are the key properties of 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate?
3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate has a molecular weight of 264.35 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)sulfonylpropyl acetate is sourced from PubChem (CID 67403425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).