5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid

C10H13NO5S2 — CID 82733477

IUPAC5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H13NO5S2/c1-11(8-2-3-16-5-8)18(14,15)9-4-7(6-17-9)10(12)13/h4,6,8H,2-3,5H2,1H3,(H,12,13)
InChIKeyRNBZKLDMRHOLAP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.86
Rot. Bonds4

About 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid

5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 82733477) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID82733477
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C10H13NO5S2/c1-11(8-2-3-16-5-8)18(14,15)9-4-7(6-17-9)10(12)13/h4,6,8H,2-3,5H2,1H3,(H,12,13)
InChIKeyRNBZKLDMRHOLAP-UHFFFAOYSA-N
XLogP0.86
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724
3-bromo-4-[methyl(oxolan-3-yl)sulfamoyl]benzoic acid
CID 82733920
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
3-bromo-4-methyl-5-[methyl(oxolan-3-yl)sulfamoyl]benzoic acid
CID 82733595
4-[methyl(oxolan-3-yl)sulfamoyl]-2-(trifluoromethyl)benzoic acid
CID 138001320
5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82745840
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 63164467
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]thiophene-3-carboxylic acid
CID 63236674
1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 82731840
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
4-fluoro-3-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610883

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid (CID 82733477) is 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid is CN(C1CCOC1)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is RNBZKLDMRHOLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-11(8-2-3-16-5-8)18(14,15)9-4-7(6-17-9)10(12)13/h4,6,8H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 82733477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).