methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate

C19H25N3O4S2 — CID 24817068

IUPACmethyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC(N(C)CCc2ccccn2)C1
InChIInChI=1S/C19H25N3O4S2/c1-21(12-8-15-6-3-4-10-20-15)16-7-5-11-22(14-16)28(24,25)17-9-13-27-18(17)19(23)26-2/h3-4,6,9-10,13,16H,5,7-8,11-12,14H2,1-2H3
InChIKeyDNLQODQOKBYYOY-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.26
Rot. Bonds7

About methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate

methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 24817068) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID24817068
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Namemethyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC(N(C)CCc2ccccn2)C1
InChIInChI=1S/C19H25N3O4S2/c1-21(12-8-15-6-3-4-10-20-15)16-7-5-11-22(14-16)28(24,25)17-9-13-27-18(17)19(23)26-2/h3-4,6,9-10,13,16H,5,7-8,11-12,14H2,1-2H3
InChIKeyDNLQODQOKBYYOY-UHFFFAOYSA-N
XLogP2.26
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-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

4-[Cyclopropylmethyl-[(6-methylpyridin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 138001482
Methyl 3-[3-fluoro-2-(2-fluoro-3-pyridinyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylthiophene-2-carboxylate
CID 67152705
Methyl 3-{[4-{[(tert-butoxycarbonyl)(methyl)amino]methyl}-3-fluoro-2-(2-fluoropyridin-3-yl)-1H-pyrrol-1-yl]sulfonyl}thiophene-2-carboxylate
CID 67395940
Methyl 3-[(2-fluoro-5-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 56349990
Methyl 3-[(5-fluoro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 61784982
Methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794847
Methyl 3-[(6-fluoro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 103775769
Methyl 3-{[4-(pyridin-2-yl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylate
CID 17608800
Methyl 4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophene-2-carboxylate
CID 56887063
Methyl 4-{[(1-methyl-4-piperidinyl)(4-pyridinylmethyl)amino]methyl}-2-thiophenecarboxylate
CID 56916882
methyl 3-(N-(2-(4-methyl-5-oxo-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 71793742
Methyl 4-{[(pyridin-3-yl)methyl][2-(thiophen-2-yl)ethyl]sulfamoyl}benzoate
CID 71796638

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate (CID 24817068) is methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCCC(N(C)CCc2ccccn2)C1.
What is the InChIKey of methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is DNLQODQOKBYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-21(12-8-15-6-3-4-10-20-15)16-7-5-11-22(14-16)28(24,25)17-9-13-27-18(17)19(23)26-2/h3-4,6,9-10,13,16H,5,7-8,11-12,14H2,1-2H3.
What are the key properties of methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 423.56 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 24817068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).