(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

C16H23NO3S — CID 103348252

IUPAC(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCOc1cccc(C(O)C2CCOC3(CCSCC3)C2)n1
InChIInChI=1S/C16H23NO3S/c1-19-14-4-2-3-13(17-14)15(18)12-5-8-20-16(11-12)6-9-21-10-7-16/h2-4,12,15,18H,5-11H2,1H3
InChIKeyHJAGQXWUTIWQTE-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.82
Rot. Bonds3

About (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (PubChem CID 103348252) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
PubChem CID103348252
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCOc1cccc(C(O)C2CCOC3(CCSCC3)C2)n1
InChIInChI=1S/C16H23NO3S/c1-19-14-4-2-3-13(17-14)15(18)12-5-8-20-16(11-12)6-9-21-10-7-16/h2-4,12,15,18H,5-11H2,1H3
InChIKeyHJAGQXWUTIWQTE-UHFFFAOYSA-N
XLogP2.82
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 103348185
(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 102950732
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiophen-3-yl)methanol
CID 79900947
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridazin-4-yl)methanol
CID 105116776
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-phenylethane-1,2-diol
CID 103459513
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-ol
CID 104846100
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 102951342

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (CID 103348252) is (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is COc1cccc(C(O)C2CCOC3(CCSCC3)C2)n1.
What is the InChIKey of (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is HJAGQXWUTIWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-19-14-4-2-3-13(17-14)15(18)12-5-8-20-16(11-12)6-9-21-10-7-16/h2-4,12,15,18H,5-11H2,1H3.
What are the key properties of (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
(6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 309.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 103348252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).