methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate

C8H10N2O6S2 — CID 112673568

IUPACmethyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NOCC(N)=O
InChIInChI=1S/C8H10N2O6S2/c1-15-8(12)7-5(2-3-17-7)18(13,14)10-16-4-6(9)11/h2-3,10H,4H2,1H3,(H2,9,11)
InChIKeyVUYGKSJRNBFHJN-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.77
Rot. Bonds6

About methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate (PubChem CID 112673568) has the molecular formula C8H10N2O6S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
PubChem CID112673568
Molecular FormulaC8H10N2O6S2
Molecular Weight294.31 g/mol
Exact Mass294.00
IUPAC Namemethyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NOCC(N)=O
InChIInChI=1S/C8H10N2O6S2/c1-15-8(12)7-5(2-3-17-7)18(13,14)10-16-4-6(9)11/h2-3,10H,4H2,1H3,(H2,9,11)
InChIKeyVUYGKSJRNBFHJN-UHFFFAOYSA-N
XLogP-0.77
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
CID 156531143
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
2-[(2,4-dimethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673485
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
methyl 3-[3-[4-(dimethylamino)phenyl]prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90554392

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate (CID 112673568) is methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NOCC(N)=O.
What is the InChIKey of methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is VUYGKSJRNBFHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S2/c1-15-8(12)7-5(2-3-17-7)18(13,14)10-16-4-6(9)11/h2-3,10H,4H2,1H3,(H2,9,11).
What are the key properties of methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 112673568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).