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

C10H13NO5S2 — CID 43609997

IUPAC3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C10H13NO5S2/c12-10(13)9-8(3-6-17-9)18(14,15)11-7-1-4-16-5-2-7/h3,6-7,11H,1-2,4-5H2,(H,12,13)
InChIKeyZJTXDBZWQWEOQS-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds4

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

3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43609997) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43609997
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C10H13NO5S2/c12-10(13)9-8(3-6-17-9)18(14,15)11-7-1-4-16-5-2-7/h3,6-7,11H,1-2,4-5H2,(H,12,13)
InChIKeyZJTXDBZWQWEOQS-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

3-(Morpholin-4-ylsulfonyl)thiophene-2-carboxylic acid
CID 9361763
3-(Cyclopropylsulfamoyl)thiophene-2-carboxylic acid
CID 16227156
Methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 2810893
3-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 16227157
3-(Cycloheptylsulfamoyl)thiophene-2-carboxylic acid
CID 17221131
3-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid
CID 43146630
3-{[2-(2-Hydroxyethyl)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid
CID 43329029
3-(Methylsulfamoyl)thiophene-2-carboxylic acid
CID 16639914
4-[(Tert-butylamino)sulfonyl]-2-thiophenecarboxylic acid
CID 42562023
Methyl 3-{[(2s)-1-methoxy-1-oxopropan-2-yl]sulfamoyl}thiophene-2-carboxylate
CID 129883316
Methyl 3-{[(2r)-1-methoxy-1-oxopropan-2-yl]sulfamoyl}thiophene-2-carboxylate
CID 129883447
3-{[(1r)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883542

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43609997) is 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is ZJTXDBZWQWEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c12-10(13)9-8(3-6-17-9)18(14,15)11-7-1-4-16-5-2-7/h3,6-7,11H,1-2,4-5H2,(H,12,13).
What are the key properties of 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid?
3-(oxan-4-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 3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43609997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).