1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol

C9H14N2O2S — CID 63931140

IUPAC1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
SMILESCOCC(O)CSc1ccc(N)cn1
InChIInChI=1S/C9H14N2O2S/c1-13-5-8(12)6-14-9-3-2-7(10)4-11-9/h2-4,8,12H,5-6,10H2,1H3
InChIKeyAGIAKMXUKJOQQX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.76
Rot. Bonds5

About 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol

1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol (PubChem CID 63931140) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
PubChem CID63931140
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol
SMILESCOCC(O)CSc1ccc(N)cn1
InChIInChI=1S/C9H14N2O2S/c1-13-5-8(12)6-14-9-3-2-7(10)4-11-9/h2-4,8,12H,5-6,10H2,1H3
InChIKeyAGIAKMXUKJOQQX-UHFFFAOYSA-N
XLogP0.76
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
CID 60885424
6-(2-aminopropylsulfanyl)pyridin-3-amine
CID 102689492
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63931345
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
CID 110897911
1-[(5-chloro-2-pyridinyl)sulfanyl]-3-methoxypropan-2-amine
CID 107511471
1-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropan-2-ol
CID 60884000
6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine
CID 61484590
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 78894231
4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
CID 63930264
1-(2-amino-4-chlorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63930928
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 107338519

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol (CID 63931140) is 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol is COCC(O)CSc1ccc(N)cn1.
What is the InChIKey of 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol?
The InChIKey is AGIAKMXUKJOQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-5-8(12)6-14-9-3-2-7(10)4-11-9/h2-4,8,12H,5-6,10H2,1H3.
What are the key properties of 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol?
1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol has a molecular weight of 214.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-pyridinyl)sulfanyl]-3-methoxypropan-2-ol is sourced from PubChem (CID 63931140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).