1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one

C10H17NO3S — CID 70070160

IUPAC1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one
SMILESC=C(N1CCC(=O)CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H17NO3S/c1-8(2)15(13,14)9(3)11-6-4-10(12)5-7-11/h8H,3-7H2,1-2H3
InChIKeyFVGWZGDWUHKXGQ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.95
Rot. Bonds3

About 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one

1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one (PubChem CID 70070160) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one
PubChem CID70070160
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one
SMILESC=C(N1CCC(=O)CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H17NO3S/c1-8(2)15(13,14)9(3)11-6-4-10(12)5-7-11/h8H,3-7H2,1-2H3
InChIKeyFVGWZGDWUHKXGQ-UHFFFAOYSA-N
XLogP0.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one?
The IUPAC name of 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one (CID 70070160) is 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one.
What is the SMILES notation for 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one?
The canonical SMILES for 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one is C=C(N1CCC(=O)CC1)S(=O)(=O)C(C)C.
What is the InChIKey of 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one?
The InChIKey is FVGWZGDWUHKXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-8(2)15(13,14)9(3)11-6-4-10(12)5-7-11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one?
1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one has a molecular weight of 231.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylsulfonylethenyl)piperidin-4-one is sourced from PubChem (CID 70070160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).