ethene;1-propan-2-ylsulfonylpiperidin-4-one

C10H19NO3S — CID 18673824

IUPACethene;1-propan-2-ylsulfonylpiperidin-4-one
SMILESC=C.CC(C)S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S.C2H4/c1-7(2)13(11,12)9-5-3-8(10)4-6-9;1-2/h7H,3-6H2,1-2H3;1-2H2
InChIKeyBMFYSFTYECRSJZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.19
Rot. Bonds2

About ethene;1-propan-2-ylsulfonylpiperidin-4-one

ethene;1-propan-2-ylsulfonylpiperidin-4-one (PubChem CID 18673824) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is ethene;1-propan-2-ylsulfonylpiperidin-4-one.

Molecular Properties

Compound Nameethene;1-propan-2-ylsulfonylpiperidin-4-one
PubChem CID18673824
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Nameethene;1-propan-2-ylsulfonylpiperidin-4-one
SMILESC=C.CC(C)S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S.C2H4/c1-7(2)13(11,12)9-5-3-8(10)4-6-9;1-2/h7H,3-6H2,1-2H3;1-2H2
InChIKeyBMFYSFTYECRSJZ-UHFFFAOYSA-N
XLogP1.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.19
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-propan-2-ylsulfonylpiperidin-4-one?
The IUPAC name of ethene;1-propan-2-ylsulfonylpiperidin-4-one (CID 18673824) is ethene;1-propan-2-ylsulfonylpiperidin-4-one.
What is the SMILES notation for ethene;1-propan-2-ylsulfonylpiperidin-4-one?
The canonical SMILES for ethene;1-propan-2-ylsulfonylpiperidin-4-one is C=C.CC(C)S(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of ethene;1-propan-2-ylsulfonylpiperidin-4-one?
The InChIKey is BMFYSFTYECRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S.C2H4/c1-7(2)13(11,12)9-5-3-8(10)4-6-9;1-2/h7H,3-6H2,1-2H3;1-2H2.
What are the key properties of ethene;1-propan-2-ylsulfonylpiperidin-4-one?
ethene;1-propan-2-ylsulfonylpiperidin-4-one has a molecular weight of 233.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-propan-2-ylsulfonylpiperidin-4-one is sourced from PubChem (CID 18673824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).