4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid

C11H15NO4S2 — CID 61068102

IUPAC4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESC=CCN(C(C)C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO4S2/c1-4-5-12(8(2)3)18(15,16)9-6-10(11(13)14)17-7-9/h4,6-8H,1,5H2,2-3H3,(H,13,14)
InChIKeyHSPCOQHGGSWTJJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds6

About 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid

4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61068102) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61068102
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESC=CCN(C(C)C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO4S2/c1-4-5-12(8(2)3)18(15,16)9-6-10(11(13)14)17-7-9/h4,6-8H,1,5H2,2-3H3,(H,13,14)
InChIKeyHSPCOQHGGSWTJJ-UHFFFAOYSA-N
XLogP2.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403
4-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 61073938
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
1-methyl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 54876209
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
1-propan-2-yl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60951201
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61384905
4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617805
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61068102) is 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid is C=CCN(C(C)C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HSPCOQHGGSWTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-4-5-12(8(2)3)18(15,16)9-6-10(11(13)14)17-7-9/h4,6-8H,1,5H2,2-3H3,(H,13,14).
What are the key properties of 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(prop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61068102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).