4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine

C17H26N2O4S — CID 2929026

IUPAC4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine
SMILESO=S(=O)(CC(CN1CCOCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H26N2O4S/c20-24(21,17-4-2-1-3-5-17)15-16(19-8-12-23-13-9-19)14-18-6-10-22-11-7-18/h1-5,16H,6-15H2
InChIKeyMWJFXHDCFAQLLN-UHFFFAOYSA-N
MW354.47 g/mol
LogP0.49
Rot. Bonds6

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

4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine (PubChem CID 2929026) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine
PubChem CID2929026
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine
SMILESO=S(=O)(CC(CN1CCOCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H26N2O4S/c20-24(21,17-4-2-1-3-5-17)15-16(19-8-12-23-13-9-19)14-18-6-10-22-11-7-18/h1-5,16H,6-15H2
InChIKeyMWJFXHDCFAQLLN-UHFFFAOYSA-N
XLogP0.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine?
The IUPAC name of 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine (CID 2929026) is 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine.
What is the SMILES notation for 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine?
The canonical SMILES for 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine is O=S(=O)(CC(CN1CCOCC1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine?
The InChIKey is MWJFXHDCFAQLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c20-24(21,17-4-2-1-3-5-17)15-16(19-8-12-23-13-9-19)14-18-6-10-22-11-7-18/h1-5,16H,6-15H2.
What are the key properties of 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine?
4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine has a molecular weight of 354.47 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine is sourced from PubChem (CID 2929026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).