methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate

C8H12N2O4S2 — CID 43603472

IUPACmethyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCN
InChIInChI=1S/C8H12N2O4S2/c1-14-8(11)7-6(2-5-15-7)16(12,13)10-4-3-9/h2,5,10H,3-4,9H2,1H3
InChIKeyXXFKBZKPOJZWOH-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.23
Rot. Bonds5

About methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate

methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 43603472) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
PubChem CID43603472
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Namemethyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCN
InChIInChI=1S/C8H12N2O4S2/c1-14-8(11)7-6(2-5-15-7)16(12,13)10-4-3-9/h2,5,10H,3-4,9H2,1H3
InChIKeyXXFKBZKPOJZWOH-UHFFFAOYSA-N
XLogP-0.23
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3476036
methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
CID 112673568
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3699579
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 3-[3-(2-fluorophenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90552674
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
CID 18148291

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate (CID 43603472) is methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCN.
What is the InChIKey of methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is XXFKBZKPOJZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-14-8(11)7-6(2-5-15-7)16(12,13)10-4-3-9/h2,5,10H,3-4,9H2,1H3.
What are the key properties of methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 43603472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).