methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

C15H21N3O6S2 — CID 18209328

IUPACmethyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H21N3O6S2/c1-23-14(19)13-12(2-11-25-13)26(21,22)18-5-3-16(4-6-18)15(20)17-7-9-24-10-8-17/h2,11H,3-10H2,1H3
InChIKeyYDLXLBSLXOJZTL-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.29
Rot. Bonds3

About methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 18209328) has the molecular formula C15H21N3O6S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID18209328
Molecular FormulaC15H21N3O6S2
Molecular Weight403.48 g/mol
Exact Mass403.09
IUPAC Namemethyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H21N3O6S2/c1-23-14(19)13-12(2-11-25-13)26(21,22)18-5-3-16(4-6-18)15(20)17-7-9-24-10-8-17/h2,11H,3-10H2,1H3
InChIKeyYDLXLBSLXOJZTL-UHFFFAOYSA-N
XLogP0.29
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122340909
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038
methyl 3-(4-cyclopropylidenepiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 121187229
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961772
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
CID 16813267
methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate
CID 94113436
methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 18147980
methyl 3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122334493
methyl 3-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 3796308
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
methyl 3-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 39698835
methyl 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
CID 3709247

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate (CID 18209328) is methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is YDLXLBSLXOJZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S2/c1-23-14(19)13-12(2-11-25-13)26(21,22)18-5-3-16(4-6-18)15(20)17-7-9-24-10-8-17/h2,11H,3-10H2,1H3.
What are the key properties of methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 18209328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).