methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate

C13H19NO4S3 — CID 102794883

IUPACmethyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCC(SC)C1
InChIInChI=1S/C13H19NO4S3/c1-8-7-20-11(13(15)18-2)12(8)21(16,17)14-9-4-5-10(6-9)19-3/h7,9-10,14H,4-6H2,1-3H3
InChIKeyIZJFFWBRWYECEC-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.41
Rot. Bonds5

About methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate

methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 102794883) has the molecular formula C13H19NO4S3 and a molecular weight of 349.50 g/mol. Its IUPAC name is methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID102794883
Molecular FormulaC13H19NO4S3
Molecular Weight349.50 g/mol
Exact Mass349.05
IUPAC Namemethyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC1CCC(SC)C1
InChIInChI=1S/C13H19NO4S3/c1-8-7-20-11(13(15)18-2)12(8)21(16,17)14-9-4-5-10(6-9)19-3/h7,9-10,14H,4-6H2,1-3H3
InChIKeyIZJFFWBRWYECEC-UHFFFAOYSA-N
XLogP2.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate (CID 102794883) is methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC1CCC(SC)C1.
What is the InChIKey of methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is IZJFFWBRWYECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S3/c1-8-7-20-11(13(15)18-2)12(8)21(16,17)14-9-4-5-10(6-9)19-3/h7,9-10,14H,4-6H2,1-3H3.
What are the key properties of methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 349.50 g/mol, XLogP of 2.41, 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-[(3-methylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 102794883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).