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

C10H14N2O4S2 — CID 16646038

IUPACmethyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H14N2O4S2/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
InChIKeyOXJRZGREVONVSQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.13
Rot. Bonds3

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

methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate (PubChem CID 16646038) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
PubChem CID16646038
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Namemethyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H14N2O4S2/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
InChIKeyOXJRZGREVONVSQ-UHFFFAOYSA-N
XLogP0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961772
methyl 3-(4-cyclopropylidenepiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 121187229
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-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]thiophene-2-carboxylate
CID 102681216

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate (CID 16646038) is methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate?
The InChIKey is OXJRZGREVONVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/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.
What are the key properties of methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate?
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 0.13, 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 is sourced from PubChem (CID 16646038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).