methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate

C10H13NO3S — CID 123951100

IUPACmethyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1ccc(OC)nc1
InChIInChI=1S/C10H13NO3S/c1-13-9-4-3-8(5-11-9)6-15-7-10(12)14-2/h3-5H,6-7H2,1-2H3
InChIKeyFAAPRFLASGOWAW-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.50
Rot. Bonds5

About methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate

methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate (PubChem CID 123951100) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
PubChem CID123951100
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1ccc(OC)nc1
InChIInChI=1S/C10H13NO3S/c1-13-9-4-3-8(5-11-9)6-15-7-10(12)14-2/h3-5H,6-7H2,1-2H3
InChIKeyFAAPRFLASGOWAW-UHFFFAOYSA-N
XLogP1.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039759
propan-2-yl 2-[(6-methoxy-3-pyridinyl)methylamino]acetate
CID 62990974
1-[(6-methoxy-3-pyridinyl)methoxy]propan-2-one
CID 129259580
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate?
The IUPAC name of methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate (CID 123951100) is methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate is COC(=O)CSCc1ccc(OC)nc1.
What is the InChIKey of methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate?
The InChIKey is FAAPRFLASGOWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-13-9-4-3-8(5-11-9)6-15-7-10(12)14-2/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate?
methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate has a molecular weight of 227.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate is sourced from PubChem (CID 123951100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).