1-propylsulfonylpiperidin-4-one

C8H15NO3S — CID 20885112

IUPAC1-propylsulfonylpiperidin-4-one
SMILESCCCS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h2-7H2,1H3
InChIKeyIQVPDHSSLFILML-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.39
Rot. Bonds3

About 1-propylsulfonylpiperidin-4-one

1-propylsulfonylpiperidin-4-one (PubChem CID 20885112) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-propylsulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-propylsulfonylpiperidin-4-one
PubChem CID20885112
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-propylsulfonylpiperidin-4-one
SMILESCCCS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h2-7H2,1H3
InChIKeyIQVPDHSSLFILML-UHFFFAOYSA-N
XLogP0.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpiperidin-4-one?
The IUPAC name of 1-propylsulfonylpiperidin-4-one (CID 20885112) is 1-propylsulfonylpiperidin-4-one.
What is the SMILES notation for 1-propylsulfonylpiperidin-4-one?
The canonical SMILES for 1-propylsulfonylpiperidin-4-one is CCCS(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-propylsulfonylpiperidin-4-one?
The InChIKey is IQVPDHSSLFILML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h2-7H2,1H3.
What are the key properties of 1-propylsulfonylpiperidin-4-one?
1-propylsulfonylpiperidin-4-one has a molecular weight of 205.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpiperidin-4-one is sourced from PubChem (CID 20885112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).