[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol

C12H18N2OS — CID 105066979

IUPAC[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol
SMILESCC1SCCN(c2cnccc2CO)C1C
InChIInChI=1S/C12H18N2OS/c1-9-10(2)16-6-5-14(9)12-7-13-4-3-11(12)8-15/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyWPONQAPCPBDVRT-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.90
Rot. Bonds2

About [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol

[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol (PubChem CID 105066979) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol
PubChem CID105066979
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol
SMILESCC1SCCN(c2cnccc2CO)C1C
InChIInChI=1S/C12H18N2OS/c1-9-10(2)16-6-5-14(9)12-7-13-4-3-11(12)8-15/h3-4,7,9-10,15H,5-6,8H2,1-2H3
InChIKeyWPONQAPCPBDVRT-UHFFFAOYSA-N
XLogP1.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787683
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
2-(2,3-dimethylthiomorpholin-4-yl)-5-(hydroxymethyl)benzonitrile
CID 114063496
[4-[4-(hydroxymethyl)-3-pyridinyl]morpholin-3-yl]methanol
CID 105066985
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555
4-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylthiomorpholine
CID 114846834
4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
CID 105067424
[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
CID 106316384
5-bromo-4-(2,3-dimethylthiomorpholin-4-yl)pyridin-3-amine
CID 103518532
N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105390461
[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methanol
CID 105066787

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol (CID 105066979) is [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol is CC1SCCN(c2cnccc2CO)C1C.
What is the InChIKey of [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol?
The InChIKey is WPONQAPCPBDVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-10(2)16-6-5-14(9)12-7-13-4-3-11(12)8-15/h3-4,7,9-10,15H,5-6,8H2,1-2H3.
What are the key properties of [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol?
[3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol has a molecular weight of 238.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethylthiomorpholin-4-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105066979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).