4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine

C17H26N2O4S — CID 23724010

IUPAC4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H26N2O4S/c1-14-5-6-16(22-2)17(12-14)24(20,21)19-7-3-4-15(13-19)18-8-10-23-11-9-18/h5-6,12,15H,3-4,7-11,13H2,1-2H3
InChIKeySFTJKODHKSNAJC-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.49
Rot. Bonds4

About 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine

4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine (PubChem CID 23724010) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine
PubChem CID23724010
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C17H26N2O4S/c1-14-5-6-16(22-2)17(12-14)24(20,21)19-7-3-4-15(13-19)18-8-10-23-11-9-18/h5-6,12,15H,3-4,7-11,13H2,1-2H3
InChIKeySFTJKODHKSNAJC-UHFFFAOYSA-N
XLogP1.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine (CID 23724010) is 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine is COc1ccc(C)cc1S(=O)(=O)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
The InChIKey is SFTJKODHKSNAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14-5-6-16(22-2)17(12-14)24(20,21)19-7-3-4-15(13-19)18-8-10-23-11-9-18/h5-6,12,15H,3-4,7-11,13H2,1-2H3.
What are the key properties of 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine?
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine has a molecular weight of 354.47 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]morpholine is sourced from PubChem (CID 23724010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).