[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C17H24N2O4S — CID 3156708

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-14-4-6-16(7-5-14)24(21,22)19-8-2-3-15(13-19)17(20)18-9-11-23-12-10-18/h4-7,15H,2-3,8-13H2,1H3
InChIKeyIKPBYWHPDKYRME-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.25
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 3156708) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID3156708
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C17H24N2O4S/c1-14-4-6-16(7-5-14)24(21,22)19-8-2-3-15(13-19)17(20)18-9-11-23-12-10-18/h4-7,15H,2-3,8-13H2,1H3
InChIKeyIKPBYWHPDKYRME-UHFFFAOYSA-N
XLogP1.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 3156708) is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IKPBYWHPDKYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-4-6-16(7-5-14)24(21,22)19-8-2-3-15(13-19)17(20)18-9-11-23-12-10-18/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3156708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).