1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol

C9H14N2O2S — CID 170819550

IUPAC1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol
SMILESCc1cnc(C(O)C(O)CS)c(N)c1
InChIInChI=1S/C9H14N2O2S/c1-5-2-6(10)8(11-3-5)9(13)7(12)4-14/h2-3,7,9,12-14H,4,10H2,1H3
InChIKeyCGJYNLFXHWCNKI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.30
Rot. Bonds3

About 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol

1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol (PubChem CID 170819550) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol
PubChem CID170819550
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol
SMILESCc1cnc(C(O)C(O)CS)c(N)c1
InChIInChI=1S/C9H14N2O2S/c1-5-2-6(10)8(11-3-5)9(13)7(12)4-14/h2-3,7,9,12-14H,4,10H2,1H3
InChIKeyCGJYNLFXHWCNKI-UHFFFAOYSA-N
XLogP0.30
TPSA79.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.30
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

S-[4-(3-amino-5-methyl-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875558
1-(5-amino-3-chloropyrazin-2-yl)-3-sulfanylpropane-1,2-diol
CID 170819675
1-(4-amino-6-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819513
4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol
CID 171880903
4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900636
(3-amino-5-methyl-2-pyridinyl)methanol
CID 130934875
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
1-(6-methyl-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819362
1-(6-amino-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819326
1-(4-amino-2-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819333
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
CID 169267261
ethyl 3-(3-amino-5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865754

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol?
The IUPAC name of 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol (CID 170819550) is 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol.
What is the SMILES notation for 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol?
The canonical SMILES for 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol is Cc1cnc(C(O)C(O)CS)c(N)c1.
What is the InChIKey of 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol?
The InChIKey is CGJYNLFXHWCNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-2-6(10)8(11-3-5)9(13)7(12)4-14/h2-3,7,9,12-14H,4,10H2,1H3.
What are the key properties of 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol?
1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol has a molecular weight of 214.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol is sourced from PubChem (CID 170819550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).