1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol

C10H16N2O2S — CID 171873753

IUPAC1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol
SMILESCc1ncc(C(O)C(O)CCS)cc1N
InChIInChI=1S/C10H16N2O2S/c1-6-8(11)4-7(5-12-6)10(14)9(13)2-3-15/h4-5,9-10,13-15H,2-3,11H2,1H3
InChIKeyUFAXVFFKTQZVKK-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.69
Rot. Bonds4

About 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol

1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol (PubChem CID 171873753) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol
PubChem CID171873753
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol
SMILESCc1ncc(C(O)C(O)CCS)cc1N
InChIInChI=1S/C10H16N2O2S/c1-6-8(11)4-7(5-12-6)10(14)9(13)2-3-15/h4-5,9-10,13-15H,2-3,11H2,1H3
InChIKeyUFAXVFFKTQZVKK-UHFFFAOYSA-N
XLogP0.69
TPSA79.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
1-(5-amino-6-methyl-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861696
2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylic acid
CID 171874465
methyl 2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylate
CID 171874724
1-(4-amino-3,5-dimethylphenyl)-4-sulfanylbutane-1,2-diol
CID 171874142
1-(4-amino-3-methylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873815
1-(3-amino-4-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873882
1-(6-amino-4-methyl-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873763
2-chloro-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carbonitrile
CID 171874057
1-(4-fluoro-3,5-dimethylphenyl)-4-sulfanylbutane-1,2-diol
CID 171873924
1-(3-amino-5-chlorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873787
1-[6-(hydroxymethyl)-3-pyridinyl]-4-sulfanylbutane-1,2-diol
CID 171873865

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol?
The IUPAC name of 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol (CID 171873753) is 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol.
What is the SMILES notation for 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol?
The canonical SMILES for 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol is Cc1ncc(C(O)C(O)CCS)cc1N.
What is the InChIKey of 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol?
The InChIKey is UFAXVFFKTQZVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6-8(11)4-7(5-12-6)10(14)9(13)2-3-15/h4-5,9-10,13-15H,2-3,11H2,1H3.
What are the key properties of 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol?
1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol has a molecular weight of 228.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol is sourced from PubChem (CID 171873753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).