1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one

C12H18N2O3S — CID 138670212

IUPAC1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1S(=O)(=O)/C=C/C1CCNCC1
InChIInChI=1S/C12H18N2O3S/c15-12-3-1-2-9-14(12)18(16,17)10-6-11-4-7-13-8-5-11/h1,3,6,10-11,13H,2,4-5,7-9H2/b10-6+
InChIKeyADTHCNKFBYSECR-UXBLZVDNSA-N
MW270.35 g/mol
LogP0.62
Rot. Bonds3

About 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one

1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one (PubChem CID 138670212) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one
PubChem CID138670212
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1S(=O)(=O)/C=C/C1CCNCC1
InChIInChI=1S/C12H18N2O3S/c15-12-3-1-2-9-14(12)18(16,17)10-6-11-4-7-13-8-5-11/h1,3,6,10-11,13H,2,4-5,7-9H2/b10-6+
InChIKeyADTHCNKFBYSECR-UXBLZVDNSA-N
XLogP0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one (CID 138670212) is 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one is O=C1C=CCCN1S(=O)(=O)/C=C/C1CCNCC1.
What is the InChIKey of 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one?
The InChIKey is ADTHCNKFBYSECR-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-12-3-1-2-9-14(12)18(16,17)10-6-11-4-7-13-8-5-11/h1,3,6,10-11,13H,2,4-5,7-9H2/b10-6+.
What are the key properties of 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one?
1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one has a molecular weight of 270.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-piperidin-4-ylethenyl]sulfonyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 138670212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).