methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate

C15H16N2O5S2 — CID 122249784

IUPACmethyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C15H16N2O5S2/c1-10-4-3-5-13(16-10)22-11-8-17(9-11)24(19,20)12-6-7-23-14(12)15(18)21-2/h3-7,11H,8-9H2,1-2H3
InChIKeyVDXKIYQHQRGODC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.69
Rot. Bonds5

About methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate

methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 122249784) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID122249784
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Namemethyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C15H16N2O5S2/c1-10-4-3-5-13(16-10)22-11-8-17(9-11)24(19,20)12-6-7-23-14(12)15(18)21-2/h3-7,11H,8-9H2,1-2H3
InChIKeyVDXKIYQHQRGODC-UHFFFAOYSA-N
XLogP1.69
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate (CID 122249784) is methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CC(Oc2cccc(C)n2)C1.
What is the InChIKey of methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is VDXKIYQHQRGODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-10-4-3-5-13(16-10)22-11-8-17(9-11)24(19,20)12-6-7-23-14(12)15(18)21-2/h3-7,11H,8-9H2,1-2H3.
What are the key properties of methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 122249784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).