methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate

C16H24N2O5S2 — CID 86818265

IUPACmethyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(C)C(=O)N1CCCCC1C
InChIInChI=1S/C16H24N2O5S2/c1-10-9-24-13(16(20)23-4)14(10)25(21,22)17-12(3)15(19)18-8-6-5-7-11(18)2/h9,11-12,17H,5-8H2,1-4H3
InChIKeySJJCXVXUERJDQT-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.91
Rot. Bonds5

About methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 86818265) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate
PubChem CID86818265
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Namemethyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(C)C(=O)N1CCCCC1C
InChIInChI=1S/C16H24N2O5S2/c1-10-9-24-13(16(20)23-4)14(10)25(21,22)17-12(3)15(19)18-8-6-5-7-11(18)2/h9,11-12,17H,5-8H2,1-4H3
InChIKeySJJCXVXUERJDQT-UHFFFAOYSA-N
XLogP1.91
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-3-(2-methylazepan-1-yl)sulfonylthiophene-2-carboxylate
CID 102748837
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CID 102749517
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
3-methyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
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methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794951
methyl 3-[2-(aminomethyl)piperidin-1-yl]sulfonyl-4-methylthiophene-2-carboxylate;hydrochloride
CID 120874742
methyl 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748990
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 102747997
3-cyano-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95149605
methyl 3-[cyclopentyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102747971
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate (CID 86818265) is methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC(C)C(=O)N1CCCCC1C.
What is the InChIKey of methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SJJCXVXUERJDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-10-9-24-13(16(20)23-4)14(10)25(21,22)17-12(3)15(19)18-8-6-5-7-11(18)2/h9,11-12,17H,5-8H2,1-4H3.
What are the key properties of methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 86818265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).