methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate

C11H15NO5S2 — CID 94113436

IUPACmethyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C11H15NO5S2/c1-8-7-17-5-4-12(8)19(14,15)9-3-6-18-10(9)11(13)16-2/h3,6,8H,4-5,7H2,1-2H3/t8-/m1/s1
InChIKeyWLAWWYRRPXDSHT-MRVPVSSYSA-N
MW305.38 g/mol
LogP0.94
Rot. Bonds3

About methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate

methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate (PubChem CID 94113436) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate
PubChem CID94113436
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Namemethyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C11H15NO5S2/c1-8-7-17-5-4-12(8)19(14,15)9-3-6-18-10(9)11(13)16-2/h3,6,8H,4-5,7H2,1-2H3/t8-/m1/s1
InChIKeyWLAWWYRRPXDSHT-MRVPVSSYSA-N
XLogP0.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylate
CID 47165118
methyl 3-[[(1R,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]thiophene-2-carboxylate
CID 98193885
methyl 4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoate
CID 106773732
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18209328
methyl 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 43574438
methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 18147980
methyl 3-[(3R)-3-methylpiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 104975164
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 114680534
methyl 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]thiophene-2-carboxylate
CID 43597562
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038
methyl 3-(4-cyclopropylidenepiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 121187229
methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 18148414

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate (CID 94113436) is methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCOC[C@H]1C.
What is the InChIKey of methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is WLAWWYRRPXDSHT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-8-7-17-5-4-12(8)19(14,15)9-3-6-18-10(9)11(13)16-2/h3,6,8H,4-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 94113436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).