4-piperidin-3-ylsulfonylbutan-2-one

C9H17NO3S — CID 84755134

IUPAC4-piperidin-3-ylsulfonylbutan-2-one
SMILESCC(=O)CCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C9H17NO3S/c1-8(11)4-6-14(12,13)9-3-2-5-10-7-9/h9-10H,2-7H2,1H3
InChIKeyOWVBIIXYLYKAHU-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.13
Rot. Bonds4

About 4-piperidin-3-ylsulfonylbutan-2-one

4-piperidin-3-ylsulfonylbutan-2-one (PubChem CID 84755134) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-piperidin-3-ylsulfonylbutan-2-one.

Molecular Properties

Compound Name4-piperidin-3-ylsulfonylbutan-2-one
PubChem CID84755134
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-piperidin-3-ylsulfonylbutan-2-one
SMILESCC(=O)CCS(=O)(=O)C1CCCNC1
InChIInChI=1S/C9H17NO3S/c1-8(11)4-6-14(12,13)9-3-2-5-10-7-9/h9-10H,2-7H2,1H3
InChIKeyOWVBIIXYLYKAHU-UHFFFAOYSA-N
XLogP0.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-ylsulfonylbutan-2-one?
The IUPAC name of 4-piperidin-3-ylsulfonylbutan-2-one (CID 84755134) is 4-piperidin-3-ylsulfonylbutan-2-one.
What is the SMILES notation for 4-piperidin-3-ylsulfonylbutan-2-one?
The canonical SMILES for 4-piperidin-3-ylsulfonylbutan-2-one is CC(=O)CCS(=O)(=O)C1CCCNC1.
What is the InChIKey of 4-piperidin-3-ylsulfonylbutan-2-one?
The InChIKey is OWVBIIXYLYKAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-8(11)4-6-14(12,13)9-3-2-5-10-7-9/h9-10H,2-7H2,1H3.
What are the key properties of 4-piperidin-3-ylsulfonylbutan-2-one?
4-piperidin-3-ylsulfonylbutan-2-one has a molecular weight of 219.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-ylsulfonylbutan-2-one is sourced from PubChem (CID 84755134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).