ethene;1-methylsulfonylpiperidin-4-one

C8H15NO3S — CID 18673809

IUPACethene;1-methylsulfonylpiperidin-4-one
SMILESC=C.CS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C6H11NO3S.C2H4/c1-11(9,10)7-4-2-6(8)3-5-7;1-2/h2-5H2,1H3;1-2H2
InChIKeyXVXMWNSTEXGXQG-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.41
Rot. Bonds1

About ethene;1-methylsulfonylpiperidin-4-one

ethene;1-methylsulfonylpiperidin-4-one (PubChem CID 18673809) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is ethene;1-methylsulfonylpiperidin-4-one.

Molecular Properties

Compound Nameethene;1-methylsulfonylpiperidin-4-one
PubChem CID18673809
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Nameethene;1-methylsulfonylpiperidin-4-one
SMILESC=C.CS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C6H11NO3S.C2H4/c1-11(9,10)7-4-2-6(8)3-5-7;1-2/h2-5H2,1H3;1-2H2
InChIKeyXVXMWNSTEXGXQG-UHFFFAOYSA-N
XLogP0.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-methylsulfonylpiperidin-4-one?
The IUPAC name of ethene;1-methylsulfonylpiperidin-4-one (CID 18673809) is ethene;1-methylsulfonylpiperidin-4-one.
What is the SMILES notation for ethene;1-methylsulfonylpiperidin-4-one?
The canonical SMILES for ethene;1-methylsulfonylpiperidin-4-one is C=C.CS(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of ethene;1-methylsulfonylpiperidin-4-one?
The InChIKey is XVXMWNSTEXGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S.C2H4/c1-11(9,10)7-4-2-6(8)3-5-7;1-2/h2-5H2,1H3;1-2H2.
What are the key properties of ethene;1-methylsulfonylpiperidin-4-one?
ethene;1-methylsulfonylpiperidin-4-one has a molecular weight of 205.28 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methylsulfonylpiperidin-4-one is sourced from PubChem (CID 18673809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).