methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride

C10H15ClN2O4S2 — CID 119961772

IUPACmethyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H14N2O4S2.ClH/c1-16-10(13)9-8(2-7-17-9)18(14,15)12-5-3-11-4-6-12;/h2,7,11H,3-6H2,1H3;1H
InChIKeyBRICHGZISZQUKI-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.55
Rot. Bonds3

About methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride

methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride (PubChem CID 119961772) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
PubChem CID119961772
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Namemethyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H14N2O4S2.ClH/c1-16-10(13)9-8(2-7-17-9)18(14,15)12-5-3-11-4-6-12;/h2,7,11H,3-6H2,1H3;1H
InChIKeyBRICHGZISZQUKI-UHFFFAOYSA-N
XLogP0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038
methyl 3-(4-cyclopropylidenepiperidin-1-yl)sulfonylthiophene-2-carboxylate
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methyl 3-[(3R)-3-methylpiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 104975164
methyl 3-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18209328
methyl 3-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 39698835
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
CID 16813267
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-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-[[(7R)-7-phenyl-1,4-thiazepan-4-yl]sulfonyl]thiophene-2-carboxylate
CID 99884215
methyl 3-[2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18277675

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride (CID 119961772) is methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride is COC(=O)c1sccc1S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
The InChIKey is BRICHGZISZQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2.ClH/c1-16-10(13)9-8(2-7-17-9)18(14,15)12-5-3-11-4-6-12;/h2,7,11H,3-6H2,1H3;1H.
What are the key properties of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride?
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 119961772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).