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

C13H20N2O4S2 — CID 102748004

IUPACmethyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C13H20N2O4S2/c1-9-8-20-11(13(16)19-3)12(9)21(17,18)14-10-4-6-15(2)7-5-10/h8,10,14H,4-7H2,1-3H3
InChIKeySFEXSQCHPLWPMQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.22
Rot. Bonds4

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

methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102748004) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102748004
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Namemethyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C13H20N2O4S2/c1-9-8-20-11(13(16)19-3)12(9)21(17,18)14-10-4-6-15(2)7-5-10/h8,10,14H,4-7H2,1-3H3
InChIKeySFEXSQCHPLWPMQ-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749287
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
CID 120874655
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 120874654
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 102747997
methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate
CID 102794883
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794951
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748753
methyl 4-methyl-3-[[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]sulfamoyl]thiophene-2-carboxylate
CID 125138313
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 102749171
3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748547
methyl 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-4-methylthiophene-2-carboxylate
CID 102749517

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate (CID 102748004) is methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SFEXSQCHPLWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-9-8-20-11(13(16)19-3)12(9)21(17,18)14-10-4-6-15(2)7-5-10/h8,10,14H,4-7H2,1-3H3.
What are the key properties of methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 1.22, 4 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-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102748004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).