4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine

C16H24N2O4S — CID 45222641

IUPAC4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine
SMILESO=S(=O)(N1CCOCC1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C16H24N2O4S/c19-23(20,17-8-11-21-12-9-17)18-10-13-22-16(14-18)7-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKeyOVSIVSZODKKNEO-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.90
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine

4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine (PubChem CID 45222641) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine
PubChem CID45222641
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine
SMILESO=S(=O)(N1CCOCC1)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C16H24N2O4S/c19-23(20,17-8-11-21-12-9-17)18-10-13-22-16(14-18)7-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKeyOVSIVSZODKKNEO-UHFFFAOYSA-N
XLogP0.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine (CID 45222641) is 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine is O=S(=O)(N1CCOCC1)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine?
The InChIKey is OVSIVSZODKKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c19-23(20,17-8-11-21-12-9-17)18-10-13-22-16(14-18)7-6-15-4-2-1-3-5-15/h1-5,16H,6-14H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine?
4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine has a molecular weight of 340.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 45222641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).