methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate

C11H16N2O4S2 — CID 120874655

IUPACmethyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCNC1
InChIInChI=1S/C11H16N2O4S2/c1-7-6-18-9(11(14)17-2)10(7)19(15,16)13-8-3-4-12-5-8/h6,8,12-13H,3-5H2,1-2H3
InChIKeyHDSIMJNYRDCHFV-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.48
Rot. Bonds4

About methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate

methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 120874655) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID120874655
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Namemethyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCNC1
InChIInChI=1S/C11H16N2O4S2/c1-7-6-18-9(11(14)17-2)10(7)19(15,16)13-8-3-4-12-5-8/h6,8,12-13H,3-5H2,1-2H3
InChIKeyHDSIMJNYRDCHFV-UHFFFAOYSA-N
XLogP0.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 120874654
methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 102748004
methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749287
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 102747997
methyl 4-methyl-3-[methyl(pyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120875057
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 4-methyl-3-(2-piperazin-1-ylethylsulfamoyl)thiophene-2-carboxylate
CID 120874612
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
dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride
CID 119967037
methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
CID 119967240

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate (CID 120874655) is methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC1CCNC1.
What is the InChIKey of methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is HDSIMJNYRDCHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7-6-18-9(11(14)17-2)10(7)19(15,16)13-8-3-4-12-5-8/h6,8,12-13H,3-5H2,1-2H3.
What are the key properties of methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate?
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 120874655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).