3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C10H15NO2S — CID 106504352

IUPAC3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCOc1ccc(SCC(C)CO)nc1
InChIInChI=1S/C10H15NO2S/c1-8(6-12)7-14-10-4-3-9(13-2)5-11-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyFZJRLVSJOGYWKA-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.81
Rot. Bonds5

About 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 106504352) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID106504352
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCOc1ccc(SCC(C)CO)nc1
InChIInChI=1S/C10H15NO2S/c1-8(6-12)7-14-10-4-3-9(13-2)5-11-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyFZJRLVSJOGYWKA-UHFFFAOYSA-N
XLogP1.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-5-methoxypyridine
CID 134311187
3-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 80650754
3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66105506
2-acetamido-3-[(5-methoxy-2-pyridinyl)sulfanyl]propanoic acid
CID 107768364
2-methyl-3-[[5-(propylaminomethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651178
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
2-(3-hydroxy-2-methylpropyl)sulfanyl-4-methoxybenzoic acid
CID 81309040
2-(3-hydroxy-2-methylpropyl)sulfanyl-4-methoxybenzonitrile
CID 81302476
3-[2-(dimethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 66103753
3-[(5-tert-butyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 107875022
3-[(5-methoxy-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 104696818
(2R)-3-[[5-(aminomethyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropan-1-ol;hydrochloride
CID 154904183

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 106504352) is 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is COc1ccc(SCC(C)CO)nc1.
What is the InChIKey of 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is FZJRLVSJOGYWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(6-12)7-14-10-4-3-9(13-2)5-11-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 213.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 106504352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).