4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine

C16H25NO3S — CID 45378825

IUPAC4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine
SMILESCCSCC(COc1ccccc1)OCN1CCOCC1
InChIInChI=1S/C16H25NO3S/c1-2-21-13-16(12-19-15-6-4-3-5-7-15)20-14-17-8-10-18-11-9-17/h3-7,16H,2,8-14H2,1H3
InChIKeyLFSAHUIMLKNACU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.49
Rot. Bonds9

About 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine

4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine (PubChem CID 45378825) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine
PubChem CID45378825
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine
SMILESCCSCC(COc1ccccc1)OCN1CCOCC1
InChIInChI=1S/C16H25NO3S/c1-2-21-13-16(12-19-15-6-4-3-5-7-15)20-14-17-8-10-18-11-9-17/h3-7,16H,2,8-14H2,1H3
InChIKeyLFSAHUIMLKNACU-UHFFFAOYSA-N
XLogP2.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine?
The IUPAC name of 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine (CID 45378825) is 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine.
What is the SMILES notation for 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine?
The canonical SMILES for 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine is CCSCC(COc1ccccc1)OCN1CCOCC1.
What is the InChIKey of 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine?
The InChIKey is LFSAHUIMLKNACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-21-13-16(12-19-15-6-4-3-5-7-15)20-14-17-8-10-18-11-9-17/h3-7,16H,2,8-14H2,1H3.
What are the key properties of 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine?
4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine has a molecular weight of 311.45 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylsulfanyl-3-phenoxypropan-2-yl)oxymethyl]morpholine is sourced from PubChem (CID 45378825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).