methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate

C10H13NO6S3 — CID 2810893

IUPACmethyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO6S3/c1-17-10(12)9-8(2-4-18-9)20(15,16)11-7-3-5-19(13,14)6-7/h2,4,7,11H,3,5-6H2,1H3
InChIKeyOBDVBPLRNSSBHW-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.00
Rot. Bonds4

About methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 2810893) has the molecular formula C10H13NO6S3 and a molecular weight of 339.42 g/mol. Its IUPAC name is methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID2810893
Molecular FormulaC10H13NO6S3
Molecular Weight339.42 g/mol
Exact Mass338.99
IUPAC Namemethyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO6S3/c1-17-10(12)9-8(2-4-18-9)20(15,16)11-7-3-5-19(13,14)6-7/h2,4,7,11H,3,5-6H2,1H3
InChIKeyOBDVBPLRNSSBHW-UHFFFAOYSA-N
XLogP0.00
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate (CID 2810893) is methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is OBDVBPLRNSSBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S3/c1-17-10(12)9-8(2-4-18-9)20(15,16)11-7-3-5-19(13,14)6-7/h2,4,7,11H,3,5-6H2,1H3.
What are the key properties of methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).