4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine

C18H28N2O4S — CID 2910405

IUPAC4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine
SMILESCc1ccc(S(=O)(=O)CC(CN2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-16-2-4-18(5-3-16)25(21,22)15-17(20-8-12-24-13-9-20)14-19-6-10-23-11-7-19/h2-5,17H,6-15H2,1H3
InChIKeyAMIQBWPCIRTXGU-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.80
Rot. Bonds6

About 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine

4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine (PubChem CID 2910405) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine
PubChem CID2910405
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine
SMILESCc1ccc(S(=O)(=O)CC(CN2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-16-2-4-18(5-3-16)25(21,22)15-17(20-8-12-24-13-9-20)14-19-6-10-23-11-7-19/h2-5,17H,6-15H2,1H3
InChIKeyAMIQBWPCIRTXGU-UHFFFAOYSA-N
XLogP0.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine?
The IUPAC name of 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine (CID 2910405) is 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine.
What is the SMILES notation for 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine?
The canonical SMILES for 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine is Cc1ccc(S(=O)(=O)CC(CN2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine?
The InChIKey is AMIQBWPCIRTXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-16-2-4-18(5-3-16)25(21,22)15-17(20-8-12-24-13-9-20)14-19-6-10-23-11-7-19/h2-5,17H,6-15H2,1H3.
What are the key properties of 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine?
4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine has a molecular weight of 368.50 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine is sourced from PubChem (CID 2910405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).