3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid

C9H12N2O6S2 — CID 102749185

IUPAC3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C9H12N2O6S2/c1-5-4-18-6(8(12)13)7(5)19(15,16)11-2-3-17-9(10)14/h4,11H,2-3H2,1H3,(H2,10,14)(H,12,13)
InChIKeyRXQTZOBUTFEWGU-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.13
Rot. Bonds6

About 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid

3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 102749185) has the molecular formula C9H12N2O6S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
PubChem CID102749185
Molecular FormulaC9H12N2O6S2
Molecular Weight308.34 g/mol
Exact Mass308.01
IUPAC Name3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NCCOC(N)=O
InChIInChI=1S/C9H12N2O6S2/c1-5-4-18-6(8(12)13)7(5)19(15,16)11-2-3-17-9(10)14/h4,11H,2-3H2,1H3,(H2,10,14)(H,12,13)
InChIKeyRXQTZOBUTFEWGU-UHFFFAOYSA-N
XLogP0.13
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxy-3-oxopropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748133
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106244525
4-methyl-3-(3-methylsulfinylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 102749301
3-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106305301
3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749291
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
4-methyl-3-(2-prop-2-ynylsulfanylethylsulfamoyl)thiophene-2-carboxylic acid
CID 114187437
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747994
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
4-methyl-3-(thian-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102749042
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid (CID 102749185) is 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NCCOC(N)=O.
What is the InChIKey of 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is RXQTZOBUTFEWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S2/c1-5-4-18-6(8(12)13)7(5)19(15,16)11-2-3-17-9(10)14/h4,11H,2-3H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid?
3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102749185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).