methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate

C16H22N2O7S2 — CID 3820610

IUPACmethyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)N2CCC(N3CC(C)OC3=O)CC2)c1OC
InChIInChI=1S/C16H22N2O7S2/c1-10-8-18(16(20)25-10)11-4-6-17(7-5-11)27(21,22)15-13(23-2)12(9-26-15)14(19)24-3/h9-11H,4-8H2,1-3H3
InChIKeySTZCNPLIKNHFOT-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.54
Rot. Bonds5

About methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate

methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate (PubChem CID 3820610) has the molecular formula C16H22N2O7S2 and a molecular weight of 418.49 g/mol. Its IUPAC name is methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate
PubChem CID3820610
Molecular FormulaC16H22N2O7S2
Molecular Weight418.49 g/mol
Exact Mass418.09
IUPAC Namemethyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)N2CCC(N3CC(C)OC3=O)CC2)c1OC
InChIInChI=1S/C16H22N2O7S2/c1-10-8-18(16(20)25-10)11-4-6-17(7-5-11)27(21,22)15-13(23-2)12(9-26-15)14(19)24-3/h9-11H,4-8H2,1-3H3
InChIKeySTZCNPLIKNHFOT-UHFFFAOYSA-N
XLogP1.54
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate?
The IUPAC name of methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate (CID 3820610) is methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate is COC(=O)c1csc(S(=O)(=O)N2CCC(N3CC(C)OC3=O)CC2)c1OC.
What is the InChIKey of methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate?
The InChIKey is STZCNPLIKNHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S2/c1-10-8-18(16(20)25-10)11-4-6-17(7-5-11)27(21,22)15-13(23-2)12(9-26-15)14(19)24-3/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate?
methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylthiophene-3-carboxylate is sourced from PubChem (CID 3820610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).