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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Related Compounds

cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819218
cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818255
oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate
CID 65381503
oxolan-3-yl 5-chlorosulfonyl-2-fluoro-3-methylbenzoate
CID 81479311
oxan-4-yl 2-methyl-5-sulfamoylbenzoate
CID 65382296
[(3R)-oxolan-3-yl] 2-chlorobenzoate
CID 95615058
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate
CID 65380294
oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612767
oxolan-3-yl 4-aminobenzoate
CID 63558656
oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456

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).