methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate

C9H11NO4S — CID 170337554

IUPACmethyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)5-7-3-4-8(6-10-7)15(2,12)13/h3-4,6H,5H2,1-2H3
InChIKeyLPYGDLZWLQCWES-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.20
Rot. Bonds3

About methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate

methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate (PubChem CID 170337554) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
PubChem CID170337554
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)5-7-3-4-8(6-10-7)15(2,12)13/h3-4,6H,5H2,1-2H3
InChIKeyLPYGDLZWLQCWES-UHFFFAOYSA-N
XLogP0.20
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylsulfonyl-2-pyridinyl)methyl carbamate
CID 175103370
2-ethyl-5-methylsulfonylpyridine
CID 70661388
ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
CID 107334856
2-methoxy-5-methylsulfonylpyridine
CID 13433434
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
2-[(4-bromophenyl)methyl]-5-methylsulfonylpyridine
CID 511939
methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
CID 170640549
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
N-methoxy-N-methyl-5-methylsulfonylpyridine-2-carboxamide
CID 141406084
(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
CID 175147070
methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
CID 150282683
methyl 2-[5-methyl-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]-1,3-oxazol-4-yl]acetate
CID 58951478

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate (CID 170337554) is methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate is COC(=O)Cc1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate?
The InChIKey is LPYGDLZWLQCWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-9(11)5-7-3-4-8(6-10-7)15(2,12)13/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate?
methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate has a molecular weight of 229.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate is sourced from PubChem (CID 170337554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).