1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol

C12H18N2OS — CID 103595725

IUPAC1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
SMILESCN1CCSCC1C(O)Cc1cccnc1
InChIInChI=1S/C12H18N2OS/c1-14-5-6-16-9-11(14)12(15)7-10-3-2-4-13-8-10/h2-4,8,11-12,15H,5-7,9H2,1H3
InChIKeyGOGWFBOYFOFXFD-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol

1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol (PubChem CID 103595725) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
PubChem CID103595725
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
SMILESCN1CCSCC1C(O)Cc1cccnc1
InChIInChI=1S/C12H18N2OS/c1-14-5-6-16-9-11(14)12(15)7-10-3-2-4-13-8-10/h2-4,8,11-12,15H,5-7,9H2,1H3
InChIKeyGOGWFBOYFOFXFD-UHFFFAOYSA-N
XLogP1.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
CID 131052532
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 66382265
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595562
3-[2-hydrazinyl-2-(4-methylthiomorpholin-3-yl)ethyl]pyridin-2-amine
CID 106446527

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol (CID 103595725) is 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol is CN1CCSCC1C(O)Cc1cccnc1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol?
The InChIKey is GOGWFBOYFOFXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14-5-6-16-9-11(14)12(15)7-10-3-2-4-13-8-10/h2-4,8,11-12,15H,5-7,9H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol?
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol has a molecular weight of 238.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 103595725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).