methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate

C9H13N3O5S2 — CID 19693759

IUPACmethyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1S(=O)(=O)NC(=O)NN(C)C
InChIInChI=1S/C9H13N3O5S2/c1-12(2)10-9(14)11-19(15,16)7-5-18-4-6(7)8(13)17-3/h4-5H,1-3H3,(H2,10,11,14)
InChIKeyDMYVMOQIFGHPDK-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.00
Rot. Bonds4

About methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate

methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate (PubChem CID 19693759) has the molecular formula C9H13N3O5S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate
PubChem CID19693759
Molecular FormulaC9H13N3O5S2
Molecular Weight307.35 g/mol
Exact Mass307.03
IUPAC Namemethyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1S(=O)(=O)NC(=O)NN(C)C
InChIInChI=1S/C9H13N3O5S2/c1-12(2)10-9(14)11-19(15,16)7-5-18-4-6(7)8(13)17-3/h4-5H,1-3H3,(H2,10,11,14)
InChIKeyDMYVMOQIFGHPDK-UHFFFAOYSA-N
XLogP-0.00
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.00
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

4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid
CID 19693756
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
ethane;methyl 4-aminothiophene-3-carboxylate
CID 143551713
methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
CID 3763232
2-(4-methoxycarbonylthiophen-3-yl)acetic acid
CID 138046216
methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate
CID 110190793
methyl 4-butan-2-ylthiophene-3-carboxylate
CID 114748244
methyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)benzoate
CID 13176579
methyl 5-amino-2-(propan-2-ylcarbamoylsulfamoyl)benzoate
CID 116646350
methyl 5-(dimethylsulfamoyl)-2,3,4-trifluorobenzoate
CID 12050375
methyl 2-(carbamoylsulfamoyl)-4-iodobenzoate
CID 22131495
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
CID 68846024

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate (CID 19693759) is methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate is COC(=O)c1cscc1S(=O)(=O)NC(=O)NN(C)C.
What is the InChIKey of methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate?
The InChIKey is DMYVMOQIFGHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S2/c1-12(2)10-9(14)11-19(15,16)7-5-18-4-6(7)8(13)17-3/h4-5H,1-3H3,(H2,10,11,14).
What are the key properties of methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate?
methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 19693759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).