1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol

C11H17NO2S — CID 79086989

IUPAC1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol
SMILESCN1CCOC(C(O)Cc2ccsc2)C1
InChIInChI=1S/C11H17NO2S/c1-12-3-4-14-11(7-12)10(13)6-9-2-5-15-8-9/h2,5,8,10-11,13H,3-4,6-7H2,1H3
InChIKeyYEMBDDRCZISAHK-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.98
Rot. Bonds3

About 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol

1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol (PubChem CID 79086989) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol
PubChem CID79086989
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol
SMILESCN1CCOC(C(O)Cc2ccsc2)C1
InChIInChI=1S/C11H17NO2S/c1-12-3-4-14-11(7-12)10(13)6-9-2-5-15-8-9/h2,5,8,10-11,13H,3-4,6-7H2,1H3
InChIKeyYEMBDDRCZISAHK-UHFFFAOYSA-N
XLogP0.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol (CID 79086989) is 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol is CN1CCOC(C(O)Cc2ccsc2)C1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol?
The InChIKey is YEMBDDRCZISAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12-3-4-14-11(7-12)10(13)6-9-2-5-15-8-9/h2,5,8,10-11,13H,3-4,6-7H2,1H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol?
1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol has a molecular weight of 227.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 79086989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).