5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

C12H17NO5S2 — CID 61028179

IUPAC5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H17NO5S2/c1-2-13(7-9-5-6-18-8-9)20(16,17)11-4-3-10(19-11)12(14)15/h3-4,9H,2,5-8H2,1H3,(H,14,15)
InChIKeySHEOGRBUUYZRFA-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.49
Rot. Bonds6

About 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61028179) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61028179
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H17NO5S2/c1-2-13(7-9-5-6-18-8-9)20(16,17)11-4-3-10(19-11)12(14)15/h3-4,9H,2,5-8H2,1H3,(H,14,15)
InChIKeySHEOGRBUUYZRFA-UHFFFAOYSA-N
XLogP1.49
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 51097870
2,5-dibromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47350790
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63713763
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384228
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328
4-amino-2-bromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61140278
5-[(oxolan-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103242542
5-amino-N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)imidazole-4-sulfonamide
CID 63980414

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61028179) is 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(CC1CCOC1)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SHEOGRBUUYZRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-2-13(7-9-5-6-18-8-9)20(16,17)11-4-3-10(19-11)12(14)15/h3-4,9H,2,5-8H2,1H3,(H,14,15).
What are the key properties of 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61028179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).