methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate

C8H10N2O2S — CID 43302193

IUPACmethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
SMILESCOC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C8H10N2O2S/c1-12-8(11)5-13-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3,(H2,9,10)
InChIKeyLZYDDMRUNJWKDR-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.93
Rot. Bonds3

About methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate

methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate (PubChem CID 43302193) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
PubChem CID43302193
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
SMILESCOC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C8H10N2O2S/c1-12-8(11)5-13-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3,(H2,9,10)
InChIKeyLZYDDMRUNJWKDR-UHFFFAOYSA-N
XLogP0.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate (CID 43302193) is methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate is COC(=O)CSc1ccc(N)nc1.
What is the InChIKey of methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The InChIKey is LZYDDMRUNJWKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-8(11)5-13-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3,(H2,9,10).
What are the key properties of methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate has a molecular weight of 198.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 43302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).