oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate

C11H15NO5S2 — CID 61235023

IUPACoxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
SMILESNS(=O)(=O)c1ccc(CC(=O)OCC2CCOC2)s1
InChIInChI=1S/C11H15NO5S2/c12-19(14,15)11-2-1-9(18-11)5-10(13)17-7-8-3-4-16-6-8/h1-2,8H,3-7H2,(H2,12,14,15)
InChIKeyKHTQCSJBEZWTLO-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.52
Rot. Bonds5

About oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate

oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate (PubChem CID 61235023) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
PubChem CID61235023
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Nameoxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate
SMILESNS(=O)(=O)c1ccc(CC(=O)OCC2CCOC2)s1
InChIInChI=1S/C11H15NO5S2/c12-19(14,15)11-2-1-9(18-11)5-10(13)17-7-8-3-4-16-6-8/h1-2,8H,3-7H2,(H2,12,14,15)
InChIKeyKHTQCSJBEZWTLO-UHFFFAOYSA-N
XLogP0.52
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65396177
N-methyl-N-(oxolan-3-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 78947872
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
2-methyl-1-(oxolan-3-ylmethyl)-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 119150928
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
oxolan-3-ylmethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate
CID 107018670
oxolan-3-ylmethyl 2-bromo-5-sulfamoylbenzoate
CID 61237488
N-(4,4-dimethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 65382614
oxolan-3-ylmethyl 3-amino-4-hydroxybenzoate
CID 107265591
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63713763

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate?
The IUPAC name of oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate (CID 61235023) is oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate.
What is the SMILES notation for oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate?
The canonical SMILES for oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate is NS(=O)(=O)c1ccc(CC(=O)OCC2CCOC2)s1.
What is the InChIKey of oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate?
The InChIKey is KHTQCSJBEZWTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c12-19(14,15)11-2-1-9(18-11)5-10(13)17-7-8-3-4-16-6-8/h1-2,8H,3-7H2,(H2,12,14,15).
What are the key properties of oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate?
oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate has a molecular weight of 305.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2-(5-sulfamoylthiophen-2-yl)acetate is sourced from PubChem (CID 61235023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).