1-(thiolan-3-yl)piperidin-3-one

C9H15NOS — CID 105441833

IUPAC1-(thiolan-3-yl)piperidin-3-one
SMILESO=C1CCCN(C2CCSC2)C1
InChIInChI=1S/C9H15NOS/c11-9-2-1-4-10(6-9)8-3-5-12-7-8/h8H,1-7H2
InChIKeyYJVUGTDIRNIWSC-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.16
Rot. Bonds1

About 1-(thiolan-3-yl)piperidin-3-one

1-(thiolan-3-yl)piperidin-3-one (PubChem CID 105441833) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(thiolan-3-yl)piperidin-3-one.

Molecular Properties

Compound Name1-(thiolan-3-yl)piperidin-3-one
PubChem CID105441833
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(thiolan-3-yl)piperidin-3-one
SMILESO=C1CCCN(C2CCSC2)C1
InChIInChI=1S/C9H15NOS/c11-9-2-1-4-10(6-9)8-3-5-12-7-8/h8H,1-7H2
InChIKeyYJVUGTDIRNIWSC-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)piperidin-3-one?
The IUPAC name of 1-(thiolan-3-yl)piperidin-3-one (CID 105441833) is 1-(thiolan-3-yl)piperidin-3-one.
What is the SMILES notation for 1-(thiolan-3-yl)piperidin-3-one?
The canonical SMILES for 1-(thiolan-3-yl)piperidin-3-one is O=C1CCCN(C2CCSC2)C1.
What is the InChIKey of 1-(thiolan-3-yl)piperidin-3-one?
The InChIKey is YJVUGTDIRNIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c11-9-2-1-4-10(6-9)8-3-5-12-7-8/h8H,1-7H2.
What are the key properties of 1-(thiolan-3-yl)piperidin-3-one?
1-(thiolan-3-yl)piperidin-3-one has a molecular weight of 185.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)piperidin-3-one is sourced from PubChem (CID 105441833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).