3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C10H16N2O2S — CID 66105506

IUPAC3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCOc1nc(SCC(C)CO)ccc1N
InChIInChI=1S/C10H16N2O2S/c1-7(5-13)6-15-9-4-3-8(11)10(12-9)14-2/h3-4,7,13H,5-6,11H2,1-2H3
InChIKeyFGNDHXRFDGBSHZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.39
Rot. Bonds5

About 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol

3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 66105506) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID66105506
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCOc1nc(SCC(C)CO)ccc1N
InChIInChI=1S/C10H16N2O2S/c1-7(5-13)6-15-9-4-3-8(11)10(12-9)14-2/h3-4,7,13H,5-6,11H2,1-2H3
InChIKeyFGNDHXRFDGBSHZ-UHFFFAOYSA-N
XLogP1.39
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 66105506) is 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is COc1nc(SCC(C)CO)ccc1N.
What is the InChIKey of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is FGNDHXRFDGBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(5-13)6-15-9-4-3-8(11)10(12-9)14-2/h3-4,7,13H,5-6,11H2,1-2H3.
What are the key properties of 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 228.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-methoxy-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66105506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).