methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate

C13H19NO3S — CID 113370707

IUPACmethyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate
SMILESCOC(=O)C(C)CSc1ncccc1OC(C)C
InChIInChI=1S/C13H19NO3S/c1-9(2)17-11-6-5-7-14-12(11)18-8-10(3)13(15)16-4/h5-7,9-10H,8H2,1-4H3
InChIKeyOPBJCSIRONNYPE-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.77
Rot. Bonds6

About methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate

methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate (PubChem CID 113370707) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate
PubChem CID113370707
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate
SMILESCOC(=O)C(C)CSc1ncccc1OC(C)C
InChIInChI=1S/C13H19NO3S/c1-9(2)17-11-6-5-7-14-12(11)18-8-10(3)13(15)16-4/h5-7,9-10H,8H2,1-4H3
InChIKeyOPBJCSIRONNYPE-UHFFFAOYSA-N
XLogP2.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate 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

methyl 3-[(3-carbamoyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 66112894
methyl 2-methyl-3-pyridazin-3-ylsulfanylpropanoate
CID 66115358
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
methyl 2-methyl-3-quinolin-4-ylsulfanylpropanoate
CID 66115356
N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 119384241
methyl 2-(3-hydroxy-2-methylpropyl)sulfanylpyridine-3-carboxylate
CID 66105968
methyl 3-(4-hydroxyphenyl)sulfanyl-2-methylpropanoate
CID 61030599
5-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 113370700
3-(5-methoxyisoquinolin-1-yl)sulfanyl-2-methylpropanoic acid
CID 106536824
ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
CID 113371239
methyl 2-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)propanoate
CID 66116244
methyl 4-amino-1-(3-propan-2-yloxy-2-pyridinyl)pyrazole-3-carboxylate
CID 107346297

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate?
The IUPAC name of methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate (CID 113370707) is methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate is COC(=O)C(C)CSc1ncccc1OC(C)C.
What is the InChIKey of methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate?
The InChIKey is OPBJCSIRONNYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(2)17-11-6-5-7-14-12(11)18-8-10(3)13(15)16-4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate?
methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate has a molecular weight of 269.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(3-propan-2-yloxy-2-pyridinyl)sulfanyl]propanoate is sourced from PubChem (CID 113370707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).