1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one

C15H17NO3S — CID 10589671

IUPAC1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCCC3CC(=O)C=C32)cc1
InChIInChI=1S/C15H17NO3S/c1-11-4-6-14(7-5-11)20(18,19)16-8-2-3-12-9-13(17)10-15(12)16/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyCGOZIXRLONMISI-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.25
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one

1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one (PubChem CID 10589671) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one
PubChem CID10589671
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCCC3CC(=O)C=C32)cc1
InChIInChI=1S/C15H17NO3S/c1-11-4-6-14(7-5-11)20(18,19)16-8-2-3-12-9-13(17)10-15(12)16/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyCGOZIXRLONMISI-UHFFFAOYSA-N
XLogP2.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one (CID 10589671) is 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one is Cc1ccc(S(=O)(=O)N2CCCC3CC(=O)C=C32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one?
The InChIKey is CGOZIXRLONMISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-4-6-14(7-5-11)20(18,19)16-8-2-3-12-9-13(17)10-15(12)16/h4-7,10,12H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one?
1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one has a molecular weight of 291.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridin-6-one is sourced from PubChem (CID 10589671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).