[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol

C11H15NO2S — CID 111975959

IUPAC[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
SMILESCc1ccc(SCC2(CO)COC2)nc1
InChIInChI=1S/C11H15NO2S/c1-9-2-3-10(12-4-9)15-8-11(5-13)6-14-7-11/h2-4,13H,5-8H2,1H3
InChIKeyMKMDLQPTSSRUDU-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.49
Rot. Bonds4

About [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol

[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol (PubChem CID 111975959) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
PubChem CID111975959
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
SMILESCc1ccc(SCC2(CO)COC2)nc1
InChIInChI=1S/C11H15NO2S/c1-9-2-3-10(12-4-9)15-8-11(5-13)6-14-7-11/h2-4,13H,5-8H2,1H3
InChIKeyMKMDLQPTSSRUDU-UHFFFAOYSA-N
XLogP1.49
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
CID 111975983
2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine
CID 131154641
2-butylsulfanyl-5-methylpyridine
CID 135224790
ethane;3-(5-methyl-2-pyridinyl)oxetan-3-ol
CID 178060643
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
CID 57219210
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
CID 110897911
2,2-dimethyl-3-[(5-methyl-2-pyridinyl)sulfanyl]propanal;2,2-dimethyl-3-[(5-methyl-2-pyridinyl)sulfanyl]propan-1-ol
CID 159226971
6-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylic acid
CID 107777153
2-[(5-methyl-2-pyridinyl)sulfanylmethyl]butanal
CID 90335665
2-methyl-3-[(5-methyl-2-pyridinyl)sulfanyl]propanal
CID 90335643
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol (CID 111975959) is [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol is Cc1ccc(SCC2(CO)COC2)nc1.
What is the InChIKey of [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
The InChIKey is MKMDLQPTSSRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-2-3-10(12-4-9)15-8-11(5-13)6-14-7-11/h2-4,13H,5-8H2,1H3.
What are the key properties of [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol?
[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol has a molecular weight of 225.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111975959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).