1-(4-methylphenyl)sulfinylpiperidin-4-one

C12H15NO2S — CID 143482255

IUPAC1-(4-methylphenyl)sulfinylpiperidin-4-one
SMILESCc1ccc(S(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H15NO2S/c1-10-2-4-12(5-3-10)16(15)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3
InChIKeyKECYHGJQEQIVKP-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.68
Rot. Bonds2

About 1-(4-methylphenyl)sulfinylpiperidin-4-one

1-(4-methylphenyl)sulfinylpiperidin-4-one (PubChem CID 143482255) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfinylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfinylpiperidin-4-one
PubChem CID143482255
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-(4-methylphenyl)sulfinylpiperidin-4-one
SMILESCc1ccc(S(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H15NO2S/c1-10-2-4-12(5-3-10)16(15)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3
InChIKeyKECYHGJQEQIVKP-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfinylpiperidin-4-one?
The IUPAC name of 1-(4-methylphenyl)sulfinylpiperidin-4-one (CID 143482255) is 1-(4-methylphenyl)sulfinylpiperidin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfinylpiperidin-4-one?
The canonical SMILES for 1-(4-methylphenyl)sulfinylpiperidin-4-one is Cc1ccc(S(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfinylpiperidin-4-one?
The InChIKey is KECYHGJQEQIVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-10-2-4-12(5-3-10)16(15)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfinylpiperidin-4-one?
1-(4-methylphenyl)sulfinylpiperidin-4-one has a molecular weight of 237.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfinylpiperidin-4-one is sourced from PubChem (CID 143482255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).