(1-methylsulfonylpiperidin-4-yl) propanoate

C9H17NO4S — CID 154184044

IUPAC(1-methylsulfonylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H17NO4S/c1-3-9(11)14-8-4-6-10(7-5-8)15(2,12)13/h8H,3-7H2,1-2H3
InChIKeyORKJYHLXDHJOGH-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.36
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl) propanoate

(1-methylsulfonylpiperidin-4-yl) propanoate (PubChem CID 154184044) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl) propanoate
PubChem CID154184044
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(1-methylsulfonylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H17NO4S/c1-3-9(11)14-8-4-6-10(7-5-8)15(2,12)13/h8H,3-7H2,1-2H3
InChIKeyORKJYHLXDHJOGH-UHFFFAOYSA-N
XLogP0.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylsulfonylpiperidin-4-yl) propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl) propanoate?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl) propanoate (CID 154184044) is (1-methylsulfonylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl) propanoate?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl) propanoate is CCC(=O)OC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl) propanoate?
The InChIKey is ORKJYHLXDHJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-3-9(11)14-8-4-6-10(7-5-8)15(2,12)13/h8H,3-7H2,1-2H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl) propanoate?
(1-methylsulfonylpiperidin-4-yl) propanoate has a molecular weight of 235.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl) propanoate is sourced from PubChem (CID 154184044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).