4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid

C10H13NO5S2 — CID 55248976

IUPAC4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCCOC2)cs1
InChIInChI=1S/C10H13NO5S2/c12-10(13)9-4-8(6-17-9)18(14,15)11-7-2-1-3-16-5-7/h4,6-7,11H,1-3,5H2,(H,12,13)
InChIKeyZPZAIWULWVULND-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds4

About 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid

4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 55248976) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID55248976
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCCOC2)cs1
InChIInChI=1S/C10H13NO5S2/c12-10(13)9-4-8(6-17-9)18(14,15)11-7-2-1-3-16-5-7/h4,6-7,11H,1-3,5H2,(H,12,13)
InChIKeyZPZAIWULWVULND-UHFFFAOYSA-N
XLogP0.90
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617641
4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 65416177
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
4-(cycloheptylsulfamoyl)thiophene-2-carboxamide
CID 6486058
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 63361664

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid (CID 55248976) is 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CCCOC2)cs1.
What is the InChIKey of 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is ZPZAIWULWVULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c12-10(13)9-4-8(6-17-9)18(14,15)11-7-2-1-3-16-5-7/h4,6-7,11H,1-3,5H2,(H,12,13).
What are the key properties of 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid?
4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55248976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).