[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C18H26N2O5S — CID 2304431

IUPAC[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H26N2O5S/c1-14-3-4-16(24-2)17(13-14)26(22,23)20-7-5-15(6-8-20)18(21)19-9-11-25-12-10-19/h3-4,13,15H,5-12H2,1-2H3
InChIKeyDULPRDWEKVJDSZ-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.26
Rot. Bonds4

About [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 2304431) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID2304431
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H26N2O5S/c1-14-3-4-16(24-2)17(13-14)26(22,23)20-7-5-15(6-8-20)18(21)19-9-11-25-12-10-19/h3-4,13,15H,5-12H2,1-2H3
InChIKeyDULPRDWEKVJDSZ-UHFFFAOYSA-N
XLogP1.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 2304431) is [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DULPRDWEKVJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-14-3-4-16(24-2)17(13-14)26(22,23)20-7-5-15(6-8-20)18(21)19-9-11-25-12-10-19/h3-4,13,15H,5-12H2,1-2H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 382.48 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2304431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).