1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone

C14H19NO2S — CID 175880669

IUPAC1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(S(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H19NO2S/c1-11-5-3-4-6-14(11)18(17)13-7-9-15(10-8-13)12(2)16/h3-6,13H,7-10H2,1-2H3
InChIKeyFIHVHNXEDBONCN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.11
Rot. Bonds2

About 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone

1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone (PubChem CID 175880669) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone
PubChem CID175880669
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(S(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H19NO2S/c1-11-5-3-4-6-14(11)18(17)13-7-9-15(10-8-13)12(2)16/h3-6,13H,7-10H2,1-2H3
InChIKeyFIHVHNXEDBONCN-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone (CID 175880669) is 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone is CC(=O)N1CCC(S(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone?
The InChIKey is FIHVHNXEDBONCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-11-5-3-4-6-14(11)18(17)13-7-9-15(10-8-13)12(2)16/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone?
1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone has a molecular weight of 265.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)sulfinylpiperidin-1-yl]ethanone is sourced from PubChem (CID 175880669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).