2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

C11H17NO2S — CID 103595628

IUPAC2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)Cc1ccoc1
InChIInChI=1S/C11H17NO2S/c1-12-3-5-15-8-10(12)11(13)6-9-2-4-14-7-9/h2,4,7,10-11,13H,3,5-6,8H2,1H3
InChIKeyIGQQVZXLRVNNJW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.23
Rot. Bonds3

About 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol

2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595628) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595628
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)Cc1ccoc1
InChIInChI=1S/C11H17NO2S/c1-12-3-5-15-8-10(12)11(13)6-9-2-4-14-7-9/h2,4,7,10-11,13H,3,5-6,8H2,1H3
InChIKeyIGQQVZXLRVNNJW-UHFFFAOYSA-N
XLogP1.23
TPSA36.61 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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 103595739
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595829
1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444731
2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595628) is 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is CN1CCSCC1C(O)Cc1ccoc1.
What is the InChIKey of 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is IGQQVZXLRVNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12-3-5-15-8-10(12)11(13)6-9-2-4-14-7-9/h2,4,7,10-11,13H,3,5-6,8H2,1H3.
What are the key properties of 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol?
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).