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

C12H17NO5S3 — CID 102749287

IUPACmethyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCS(=O)CC1
InChIInChI=1S/C12H17NO5S3/c1-8-7-19-10(12(14)18-2)11(8)21(16,17)13-9-3-5-20(15)6-4-9/h7,9,13H,3-6H2,1-2H3
InChIKeyKJARFUIHXJBCBT-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.03
Rot. Bonds4

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

methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102749287) has the molecular formula C12H17NO5S3 and a molecular weight of 351.47 g/mol. Its IUPAC name is methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102749287
Molecular FormulaC12H17NO5S3
Molecular Weight351.47 g/mol
Exact Mass351.03
IUPAC Namemethyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCS(=O)CC1
InChIInChI=1S/C12H17NO5S3/c1-8-7-19-10(12(14)18-2)11(8)21(16,17)13-9-3-5-20(15)6-4-9/h7,9,13H,3-6H2,1-2H3
InChIKeyKJARFUIHXJBCBT-UHFFFAOYSA-N
XLogP1.03
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 4-methyl-3-[(1-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 102748004
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-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748547
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate (CID 102749287) is methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC1CCS(=O)CC1.
What is the InChIKey of methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is KJARFUIHXJBCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S3/c1-8-7-19-10(12(14)18-2)11(8)21(16,17)13-9-3-5-20(15)6-4-9/h7,9,13H,3-6H2,1-2H3.
What are the key properties of methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(1-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 351.47 g/mol, XLogP of 1.03, 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-oxothian-4-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102749287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).