oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate

C10H13NO5S2 — CID 60721262

IUPACoxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC2CCCO2)cs1
InChIInChI=1S/C10H13NO5S2/c11-18(13,14)9-4-7(6-17-9)10(12)16-5-8-2-1-3-15-8/h4,6,8H,1-3,5H2,(H2,11,13,14)
InChIKeyGJERYUIWDNYPIH-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.73
Rot. Bonds4

About oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate

oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate (PubChem CID 60721262) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate
PubChem CID60721262
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Nameoxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC2CCCO2)cs1
InChIInChI=1S/C10H13NO5S2/c11-18(13,14)9-4-7(6-17-9)10(12)16-5-8-2-1-3-15-8/h4,6,8H,1-3,5H2,(H2,11,13,14)
InChIKeyGJERYUIWDNYPIH-UHFFFAOYSA-N
XLogP0.73
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
oxan-2-ylmethyl 4-methyl-3-sulfamoylbenzoate
CID 60730484
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl 3-chloro-4-methyl-5-sulfamoylbenzoate
CID 65379651
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
CID 60704497
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
oxolan-2-ylmethyl 4-bromo-3-nitrobenzoate
CID 55032168
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
oxan-2-ylmethyl 3-aminothiophene-2-carboxylate
CID 61308304
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate (CID 60721262) is oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate is NS(=O)(=O)c1cc(C(=O)OCC2CCCO2)cs1.
What is the InChIKey of oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is GJERYUIWDNYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c11-18(13,14)9-4-7(6-17-9)10(12)16-5-8-2-1-3-15-8/h4,6,8H,1-3,5H2,(H2,11,13,14).
What are the key properties of oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate?
oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 60721262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).