4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid

C8H11N3O5S2 — CID 19693756

IUPAC4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid
SMILESCN(C)NC(=O)NS(=O)(=O)c1cscc1C(=O)O
InChIInChI=1S/C8H11N3O5S2/c1-11(2)9-8(14)10-18(15,16)6-4-17-3-5(6)7(12)13/h3-4H,1-2H3,(H,12,13)(H2,9,10,14)
InChIKeySEDLSZLCQXKDHF-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.09
Rot. Bonds4

About 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid

4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 19693756) has the molecular formula C8H11N3O5S2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID19693756
Molecular FormulaC8H11N3O5S2
Molecular Weight293.33 g/mol
Exact Mass293.01
IUPAC Name4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid
SMILESCN(C)NC(=O)NS(=O)(=O)c1cscc1C(=O)O
InChIInChI=1S/C8H11N3O5S2/c1-11(2)9-8(14)10-18(15,16)6-4-17-3-5(6)7(12)13/h3-4H,1-2H3,(H,12,13)(H2,9,10,14)
InChIKeySEDLSZLCQXKDHF-UHFFFAOYSA-N
XLogP-0.09
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid (CID 19693756) is 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid is CN(C)NC(=O)NS(=O)(=O)c1cscc1C(=O)O.
What is the InChIKey of 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is SEDLSZLCQXKDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S2/c1-11(2)9-8(14)10-18(15,16)6-4-17-3-5(6)7(12)13/h3-4H,1-2H3,(H,12,13)(H2,9,10,14).
What are the key properties of 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid?
4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminocarbamoylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 19693756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).