oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate

C10H13NO5S2 — CID 79818410

IUPACoxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OC2CCOC2)csc1S(N)(=O)=O
InChIInChI=1S/C10H13NO5S2/c1-6-8(5-17-10(6)18(11,13)14)9(12)16-7-2-3-15-4-7/h5,7H,2-4H2,1H3,(H2,11,13,14)
InChIKeyYUPKJLNUVLYHHF-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.65
Rot. Bonds3

About oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate

oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate (PubChem CID 79818410) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
PubChem CID79818410
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Nameoxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OC2CCOC2)csc1S(N)(=O)=O
InChIInChI=1S/C10H13NO5S2/c1-6-8(5-17-10(6)18(11,13)14)9(12)16-7-2-3-15-4-7/h5,7H,2-4H2,1H3,(H2,11,13,14)
InChIKeyYUPKJLNUVLYHHF-UHFFFAOYSA-N
XLogP0.65
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate (CID 79818410) is oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate is Cc1c(C(=O)OC2CCOC2)csc1S(N)(=O)=O.
What is the InChIKey of oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The InChIKey is YUPKJLNUVLYHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-6-8(5-17-10(6)18(11,13)14)9(12)16-7-2-3-15-4-7/h5,7H,2-4H2,1H3,(H2,11,13,14).
What are the key properties of oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 79818410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).