1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one

C14H23NO3S — CID 141409816

IUPAC1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one
SMILESCC1(C)CC=CC(C)(S(=O)(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C14H23NO3S/c1-13(2)7-4-8-14(3,11-13)19(17,18)15-9-5-12(16)6-10-15/h4,8H,5-7,9-11H2,1-3H3
InChIKeyWMJXGUCISCNDBH-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.12
Rot. Bonds2

About 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one

1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one (PubChem CID 141409816) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one
PubChem CID141409816
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one
SMILESCC1(C)CC=CC(C)(S(=O)(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C14H23NO3S/c1-13(2)7-4-8-14(3,11-13)19(17,18)15-9-5-12(16)6-10-15/h4,8H,5-7,9-11H2,1-3H3
InChIKeyWMJXGUCISCNDBH-UHFFFAOYSA-N
XLogP2.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Bromo-1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one
CID 141409791
1-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperidin-4-one
CID 141409810

Frequently Asked Questions

What is the IUPAC name of 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one (CID 141409816) is 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one is CC1(C)CC=CC(C)(S(=O)(=O)N2CCC(=O)CC2)C1.
What is the InChIKey of 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one?
The InChIKey is WMJXGUCISCNDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-13(2)7-4-8-14(3,11-13)19(17,18)15-9-5-12(16)6-10-15/h4,8H,5-7,9-11H2,1-3H3.
What are the key properties of 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one?
1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one has a molecular weight of 285.41 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5,5-trimethylcyclohex-2-en-1-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 141409816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).