(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol

C11H15NO2S — CID 115374196

IUPAC(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol
SMILESCc1cncc(C(O)C2CSCCO2)c1
InChIInChI=1S/C11H15NO2S/c1-8-4-9(6-12-5-8)11(13)10-7-15-3-2-14-10/h4-6,10-11,13H,2-3,7H2,1H3
InChIKeyNTAPTESCEPNTCR-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.56
Rot. Bonds2

About (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol

(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol (PubChem CID 115374196) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol
PubChem CID115374196
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol
SMILESCc1cncc(C(O)C2CSCCO2)c1
InChIInChI=1S/C11H15NO2S/c1-8-4-9(6-12-5-8)11(13)10-7-15-3-2-14-10/h4-6,10-11,13H,2-3,7H2,1H3
InChIKeyNTAPTESCEPNTCR-UHFFFAOYSA-N
XLogP1.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963902
1,4-oxathian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79962789
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
(2-methyl-1,3-thiazol-4-yl)-(1,4-oxathian-2-yl)methanol
CID 130964765
(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 102831462
(4-ethoxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963801
1,4-oxathian-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 79963910
(5-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115827962
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 105120022
(1-methylimidazol-2-yl)-(1,4-oxathian-2-yl)methanol
CID 79963194
(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 114521401
(3,5-dimethoxypyrazin-2-yl)-(1,4-oxathian-2-yl)methanol
CID 113404119

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol (CID 115374196) is (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol is Cc1cncc(C(O)C2CSCCO2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is NTAPTESCEPNTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-4-9(6-12-5-8)11(13)10-7-15-3-2-14-10/h4-6,10-11,13H,2-3,7H2,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol?
(5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 225.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 115374196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).