3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol

C10H15NO2S — CID 107771109

IUPAC3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCOc1cccc(SC(C)C(C)O)n1
InChIInChI=1S/C10H15NO2S/c1-7(12)8(2)14-10-6-4-5-9(11-10)13-3/h4-8,12H,1-3H3
InChIKeyJANXSARMBFBCTG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.95
Rot. Bonds4

About 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol

3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol (PubChem CID 107771109) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
PubChem CID107771109
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCOc1cccc(SC(C)C(C)O)n1
InChIInChI=1S/C10H15NO2S/c1-7(12)8(2)14-10-6-4-5-9(11-10)13-3/h4-8,12H,1-3H3
InChIKeyJANXSARMBFBCTG-UHFFFAOYSA-N
XLogP1.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770920
3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770266
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
3-[(2-methoxy-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771094
(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 137495708
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-amino-1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 103348723
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
lithium (6-methoxy-2-pyridinyl)-tri(propan-2-yloxy)boranuide
CID 53216971
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol (CID 107771109) is 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol is COc1cccc(SC(C)C(C)O)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
The InChIKey is JANXSARMBFBCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(12)8(2)14-10-6-4-5-9(11-10)13-3/h4-8,12H,1-3H3.
What are the key properties of 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol?
3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol has a molecular weight of 213.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)sulfanyl]butan-2-ol is sourced from PubChem (CID 107771109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).