1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol

C16H25NO2S — CID 115666599

IUPAC1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
SMILESCCC1CN(CC(O)COCc2ccccc2)CCS1
InChIInChI=1S/C16H25NO2S/c1-2-16-11-17(8-9-20-16)10-15(18)13-19-12-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3
InChIKeyIEPZOKOYBGRBSV-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.39
Rot. Bonds7

About 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol

1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 115666599) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
PubChem CID115666599
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
SMILESCCC1CN(CC(O)COCc2ccccc2)CCS1
InChIInChI=1S/C16H25NO2S/c1-2-16-11-17(8-9-20-16)10-15(18)13-19-12-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3
InChIKeyIEPZOKOYBGRBSV-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
CID 114509037
2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
CID 113246314
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 112734049
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol (CID 115666599) is 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol is CCC1CN(CC(O)COCc2ccccc2)CCS1.
What is the InChIKey of 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is IEPZOKOYBGRBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-2-16-11-17(8-9-20-16)10-15(18)13-19-12-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3.
What are the key properties of 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol?
1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 295.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 115666599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).